Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2014381

CC(=O)NCCN1CCNCC1.Cl

nearest known ligand 0.58

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 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.50
SIGMAR1 known ✓ Q99720 1/20 0.46
HTR4 known ✓ Q13639 3/20 0.44
CHRM5 known ✓ P08912 1/20 0.42
CHRM3 known ✓ P20309 1/20 0.42
CA2 known ✓ P00918 1/20 0.40
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
NPC1 O15118 1/20 0.42
RAD52 P43351 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 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
Hydrochloric Acid SCHEMBL1546550 1.00 MEN1 (0.58) MEN1KMT2AHSD17B10KDM4EGAA
SCHEMBL1021302 0.98 MEN1 (0.59) MEN1KMT2AHSD17B10KDM4EGAA
SCHEMBL8139296 0.87 MEN1 (0.49) MEN1KMT2AHSD17B10KDM4EGAA
SCHEMBL4781902 0.84 NPSR1 (0.60) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL13306274 0.84
SCHEMBL165764 0.81 HSD17B10 (0.61) MEN1KMT2AHSD17B10KDM4EGAA
SCHEMBL7617229 0.81 MEN1 (0.61) MEN1KMT2AHSD17B10KDM4EGAA
SCHEMBL84810 0.80 NPC1 (0.61) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL18361885 0.80 NPC1 (0.56) MEN1KMT2AKDM4ENPSR1ALDH1A1
SCHEMBL14500258 0.80 KMT2A (0.56) MEN1KMT2AHSD17B10KDM4EGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO 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-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 GAA 3520/4885SIGMAR1 2590/4885HTR4 3115/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 GAA 3520/4885SIGMAR1 2590/4885HTR4 3115/4885

“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.