Hydrochloric Acid

Hydrochloric Acid

SCHEMBL237565

COC(=O)[C@@H](N)Cc1ccc2ccccc2c1.Cl

nearest known ligand 0.55

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
HTR2A known ✓ P28223 1/20 0.55
HTR2C known ✓ P28335 1/20 0.55
HTR2B known ✓ P41595 1/20 0.55
PPARG known ✓ P37231 2/20 0.53
TACR1 known ✓ P25103 1/20 0.51
DPP4 known ✓ P27487 1/20 0.50
MMP1 known ✓ P03956 1/20 0.47
MMP13 known ✓ P45452 1/20 0.47
OPRD1 known ✓ P41143 1/20 0.46
MMP8 known ✓ P22894 1/20 0.45
ALDH1A1 P00352 1/20 0.54
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
MMP9 P14780 2/20 0.47
ADAM17 P78536 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46

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 SCHEMBL2896538 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BALDH1A1PPARG
Hydrochloric Acid SCHEMBL4633494 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BALDH1A1PPARG
SCHEMBL4633497 0.98 HTR2A (0.57) HTR2AHTR2CHTR2BALDH1A1PPARG
SCHEMBL237566 0.98 HTR2A (0.57) HTR2AHTR2CHTR2BALDH1A1PPARG
SCHEMBL5845125 0.98 HTR2A (0.57) HTR2AHTR2CHTR2BALDH1A1PPARG
Hydrochloric Acid SCHEMBL5111057 0.86 PPARG (0.49) HTR2AHTR2CHTR2BALDH1A1PPARG
SCHEMBL245249 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL14032327 0.85 ALDH1A1 (0.51) HTR2AALDH1A1TACR1OPRD1PTPN1
SCHEMBL839749 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL951825 0.85 ALDH1A1 (0.51) HTR2AALDH1A1TACR1OPRD1PTPN1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753841-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2014-06-17 US disclosed
EP-2298905-B1 Novel peptide-forming enzyme gene AJINOMOTO KK (JP) 2014-02-12 EP disclosed
EP-2295579-B1 Novel peptide-forming enzyme gene AJINOMOTO KK (JP) 2014-01-22 EP disclosed
US-20130122544-A1 ENZYME THAT CATALYZES A PEPTIDE-FORMING REACTION FROM A CARBOXY COMPONENT AND AN AMINE COMPONENT, MICROBE PRODUCING THE SAME, AND A METHOD OF PRODUCING A DIPEPTIDE USING THE ENZYME OR MICROBE AJINOMOTO CO., INC. (JP) 2013-05-16 US disclosed
US-8389241-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2013-03-05 US disclosed
US-20130011873-A1 ENZYME THAT CATALYZES A PEPTIDE-FORMING REACTION FROM A CARBOXY COMPONENT AND AN AMINE COMPONENT, MICROBE PRODUCING THE SAME, AND A METHOD OF PRODUCING A DIPEPTIDE USING THE ENZYME OR MICROBE AJINOMOTO CO., INC. (JP) 2013-01-10 US disclosed
US-8329428-B2 Enzyme that catalyzes a peptide-forming reaction from a carboxy component and an amine component, microbe producing the same, and a method of producing a dipeptide using the enzyme or microbe AJINOMOTO CO., INC. (JP) 2012-12-11 US disclosed
EP-1541688-B1 PEPTIDE SYNTHASE GENE AJINOMOTO KK (JP) 2012-09-05 EP disclosed
CN-101932560-B matrix metalloproteinase inhibitors, pharmaceutical compositions containing them and their use POISON MED INST PLA MED ACAD 2012-07-04 CN disclosed
US-20120003693-A1 NOVEL PEPTIDE-FORMING ENZYME GENE AJINOMOTO CO., INC. (JP) 2012-01-05 US disclosed
WO-2000048623-A1 NOVEL AMIDE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP disclosed
WO-1991008221-A1 PEPTIDE INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-06-13 WO disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed