Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1834217

Cl.O=C(OCCCN(Cc1ccccc1)Cc1cccnc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.57

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
CHRM2 known ✓ P08172 2/20 0.53
CHRM4 known ✓ P08173 2/20 0.53
CHRM5 known ✓ P08912 2/20 0.53
CHRM1 known ✓ P11229 2/20 0.53
CHRM3 known ✓ P20309 2/20 0.53
BCHE known ✓ P06276 1/20 0.47
ACHE known ✓ P22303 1/20 0.47
OPRM1 known ✓ P35372 3/20 0.46
OPRK1 known ✓ P41145 2/20 0.46
HTR1A known ✓ P08908 1/20 0.46
DRD1 known ✓ P21728 1/20 0.46
SLC6A2 known ✓ P23975 1/20 0.46
ADRA1D known ✓ P25100 1/20 0.46
HTR1B known ✓ P28222 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
ADRA1B known ✓ P35368 1/20 0.46
AVPR1A known ✓ P37288 1/20 0.46
OPRD1 known ✓ P41143 1/20 0.46
PARP1 known ✓ P09874 1/20 0.43
CYP3A4 P08684 1/20 0.49

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
SCHEMBL1831609 0.99 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1835311 0.92 CHRM1 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3630837 0.89 CHRM1 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1838458 0.88 CHRM1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1839765 0.88 CHRM1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1835308 0.88 CHRM1 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1832843 0.88 CHRM1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1833497 0.87 CHRM1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1832773 0.87 CHRM1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1833174 0.87 CHRM1 (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP disclosed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 EP disclosed