Hydrochloric Acid

Hydrochloric Acid

SCHEMBL566787

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.Cl

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.41
SSTR3 P32745 1/20 0.51
KISS1R Q969F8 1/20 0.46
BACE1 P56817 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FURIN P09958 3/20 0.43
NPY4R P50391 5/20 0.41
NPY1R P25929 3/20 0.41
NPY2R P49146 3/20 0.41
NPY5R Q15761 3/20 0.41
TMEM97 Q5BJF2 1/20 0.41
F10 P00742 2/20 0.40
PSMB5 P28074 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7106396 0.99 SSTR3 (0.52) SSTR3KISS1RBACE1NPC1TP53
SCHEMBL521932 0.99 SSTR3 (0.52) SSTR3KISS1RBACE1NPC1TP53
SCHEMBL27319796 0.99 SSTR3 (0.52) SSTR3KISS1RBACE1NPC1TP53
SCHEMBL7888177 0.92 PDF (0.45) SSTR3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL1269633 0.90 SSTR3 (0.51) SSTR3KISS1RSMN1; SMN2FURINNPY4R
4-Nitroaniline SCHEMBL27576311 0.89 BACE1 (0.47) SSTR3KISS1RBACE1NPC1TP53
SCHEMBL8128688 0.89 SSTR3 (0.49) SSTR3KISS1RFURINNPY4RNPY1R
SCHEMBL1088124 0.88 SSTR3 (0.54) SSTR3
Hydrochloric Acid SCHEMBL10768387 0.87 NPC1 (0.50) SSTR3NPC1TP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2044745 0.87 NPC1 (0.50) SSTR3NPC1TP53RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160025-A Method of producing a blood-coagulation-promoting preparation from human blood plasma IMMUNO AKTIENGESELLSCHAFT FUR CHEMISCH-MEDIZINISCHE PRODUKTE (AT) 1979-07-03 US claimed
US-9913850-B2 Bile acids and biguanides as protease inhibitors for preserving the integrity of peptides in the gut AXCESS LIMITED (GB) 2018-03-13 US disclosed
EP-2873420-A1 Bile acids and biguanides as protease inhibitors for preserving the integrity of peptides in the gut Axcess Limited (GB) 2015-05-20 EP disclosed
CN-103387614-B Sea anemone Kunitz-type protease inhibitor and application thereof UNIV PLA 2ND MILITARY MEDICAL 2015-04-15 CN disclosed
EP-2361091-B1 BILE ACIDS AND BIGUANIDES AS PROTEASE INHIBITORS FOR PRESERVING THE INTEGRITY OF PEPTIDES IN THE GUT AXCESS LTD (GB) 2015-01-21 EP disclosed
CN-103387614-A Sea anemone Kunitz-type protease inhibitor and application thereof UNIV PLA 2ND MILITARY MEDICAL 2013-11-13 CN disclosed
US-20120035116-A1 BILE ACIDS AND BIGUANIDES AS PROTEASE INHIBITORS FOR PRESERVING THE INTEGRITY OF PEPTIDES IN THE GUT AXCESS LIMITED (GB) 2012-02-09 US disclosed
EP-2361091-A1 BILE ACIDS AND BIGUANIDES AS PROTEASE INHIBITORS FOR PRESERVING THE INTEGRITY OF PEPTIDES IN THE GUT Axcess Limited (GB) 2011-08-31 EP disclosed
US-7897364-B2 Method for determining inhibitors of neurotrypsin UNIVERSITY OF ZURICH (CH) 2011-03-01 US disclosed
WO-2010037173-A1 BILE ACIDS AND BIGUANIDES AS PROTEASE INHIBITORS FOR PRESERVING THE INTEGRITY OF PEPTIDES IN THE GUT AXCESS LIMITED (GB) 2010-04-08 WO disclosed
US-20090170950-A1 Inhibitors Of Neurotrypsin ZURICH, UNIVERSITY OF (CH) 2009-07-02 US disclosed
US-4849353-A DETECTION, QUANTITATIVE ANALYSIS CORNELL RESEARCH FOUNDATION, INC. (US) 1989-07-18 US disclosed
EP-0048989-B1 PROCESS FOR DETERMINING INHIBITOR-ENZYME COMPLEXES CORNELL RESEARCH FOUNDATION, INC. (US) 1985-09-04 EP disclosed
EP-0048989-A2 Process for determining inhibitor-enzyme complexes CORNELL RESEARCH FOUNDATION, INC. (US) 1982-04-07 EP disclosed
US-4308201-A SUBSTRATES; MEDICAL DIAGNOSIS TORII & CO., LTD. (JP) 1981-12-29 US disclosed
US-4160025-A Method of producing a blood-coagulation-promoting preparation from human blood plasma IMMUNO AKTIENGESELLSCHAFT FUR CHEMISCH-MEDIZINISCHE PRODUKTE (AT) 1979-07-03 US disclosed
US-4118481-A LYSINE, ARGININE, TYROSINE, PROTEASE INHIBITION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035116-A1 BILE ACIDS AND BIGUANIDES AS PROTEASE INHIBITORS FOR PRESERVING THE INTEGRITY OF PEPTIDES IN THE GUT VIP, SI, SLC10A2 SIGMAR1 4693/4885SSTR3 843/4885KISS1R 2622/4885
US-20090170950-A1 Inhibitors Of Neurotrypsin PRSS12, BACE1, BACE2 SIGMAR1 2312/4885SSTR3 896/4885KISS1R 3852/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.