Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8637261

COc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC(=O)c2ccccc2)c1OC.Cl.Cl

nearest known ligand 0.61

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 1/20 0.60
CHRM1 known ✓ P11229 1/20 0.60
DRD2 known ✓ P14416 1/20 0.60
ADRA2B known ✓ P18089 1/20 0.60
ADRA2C known ✓ P18825 1/20 0.60
SLC6A2 known ✓ P23975 1/20 0.60
HTR2A known ✓ P28223 1/20 0.60
HTR2C known ✓ P28335 1/20 0.60
ADRA1A known ✓ P35348 1/20 0.60
HRH1 known ✓ P35367 1/20 0.60
OPRM1 known ✓ P35372 1/20 0.60
DRD3 known ✓ P35462 1/20 0.60
OPRK1 known ✓ P41145 1/20 0.60
HTR2B known ✓ P41595 1/20 0.60
CACNA1B known ✓ Q00975 1/20 0.60
SLC6A3 known ✓ Q01959 1/20 0.60
KCNH2 known ✓ Q12809 1/20 0.60
SCN5A known ✓ Q14524 1/20 0.60
GHSR known ✓ Q92847 1/20 0.60
OPRD1 known ✓ P41143 1/20 0.48

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
SCHEMBL7757458 0.99 HTT (0.61) HTTLMNACHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL8637180 0.93 LMNA (0.71) HTTLMNACHRM2ADORA3CHRM1
SCHEMBL7753750 0.92 LMNA (0.73) HTTLMNACHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL8640153 0.90 ALDH1A1 (0.55) HTTLMNACHRM2ADORA3CHRM1
SCHEMBL7757934 0.89 ALDH1A1 (0.56) HTTLMNACHRM2ADORA3CHRM1
Hydrochloric Acid SCHEMBL8635524 0.86 ALDH1A1 (0.58) HTTCHRM2OPRK1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL8642718 0.86 ALDH1A1 (0.58) HTTLMNACHRM2OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL8639585 0.86 MEN1 (0.62) HTTALDH1A1MEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL10731346 0.86 CHRM2 (0.74) HTTLMNACHRM2ADORA3CHRM1
SCHEMBL7315305 0.86 CHRM2 (0.78) HTTLMNACHRM2ADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849745-A N-benzylpiperazine compounds ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed