Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9769781

COc1ccc(C(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)OCC(=O)O)cc1OC.Cl.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 20)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 3/20 0.48
CACNA2D1 known ✓ P54289 1/20 0.48
CACNA1B known ✓ Q00975 1/20 0.48
CACNB1 known ✓ Q02641 1/20 0.48
CACNA1C known ✓ Q13936 1/20 0.48
SLC6A2 known ✓ P23975 1/20 0.47
HRH2 known ✓ P25021 1/20 0.47
HTR2A known ✓ P28223 1/20 0.47
SLC6A4 known ✓ P31645 1/20 0.47
DRD3 known ✓ P35462 1/20 0.47
HTR2B known ✓ P41595 1/20 0.47
SLC6A3 known ✓ Q01959 1/20 0.47
KCNH2 known ✓ Q12809 1/20 0.47
GAA known ✓ P10253 2/20 0.46
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 2/20 0.47
TEK Q02763 1/20 0.47
LMNA P02545 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
Tamolarizine SCHEMBL1230722 0.82 MEN1 (0.65) ALDH1A1L3MBTL1TDP1DRD3GAA
Tamolarizine SCHEMBL2194434 0.82 MEN1 (0.65) ALDH1A1L3MBTL1TDP1DRD3GAA
Tamolarizine SCHEMBL29352586 0.82 MEN1 (0.65) ALDH1A1L3MBTL1TDP1DRD3GAA
Tamolarizine SCHEMBL331314 0.80 KMT2A (0.67) ALDH1A1L3MBTL1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL10337869 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL7266659 0.74 ALDH1A1 (0.57) ALDH1A1L3MBTL1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL10495000 0.73 KMT2A (0.65) ALDH1A1L3MBTL1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL31650952 0.72 HTT (0.69) ALDH1A1TDP1USP2GAALMNA
SCHEMBL10985091 0.71 KMT2A (0.67) ALDH1A1L3MBTL1CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL9769788 0.71 ALDH1A1 (0.57) ALDH1A1L3MBTL1HRH1TDP1USP2

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
JP-3011072-A None JP disclosed
JP-H0311072-A PIPERAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME NIPPON CHEMIPHAR CO LTD 1991-01-18 JP disclosed