Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7272686

COc1ccc(C(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1.Cl.Cl

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
OPRM1 known ✓ P35372 1/20 0.57
OPRD1 known ✓ P41143 1/20 0.57
GAA known ✓ P10253 3/20 0.53
DRD2 known ✓ P14416 3/20 0.50
DRD4 known ✓ P21917 2/20 0.50
DRD3 known ✓ P35462 2/20 0.50
HTR1A known ✓ P08908 1/20 0.50
HTR7 known ✓ P34969 1/20 0.50
CACNA2D1 known ✓ P54289 2/20 0.47
CACNA1B known ✓ Q00975 2/20 0.47
CACNB1 known ✓ Q02641 2/20 0.47
CACNA1C known ✓ Q13936 2/20 0.47
CACNA1G known ✓ O43497 1/20 0.47
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
IGF1R P08069 1/20 0.51
ALDH1A1 P00352 1/20 0.48
THRB P10828 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
SCHEMBL10980359 0.99 MEN1 (0.59) MEN1KMT2AOPRM1OPRD1GAA
Hydrochloric Acid SCHEMBL7265013 0.88 KMT2A (0.49) MEN1KMT2AOPRM1OPRD1GAA
SCHEMBL10988175 0.88 MEN1 (0.59) MEN1KMT2AOPRM1OPRD1GAA
SCHEMBL10987926 0.87 KMT2A (0.50) MEN1KMT2AOPRM1OPRD1GAA
Hydrochloric Acid SCHEMBL7265661 0.83 KMT2A (0.59) MEN1KMT2AOPRM1OPRD1GAA
SCHEMBL7265289 0.82 KMT2A (0.60) MEN1KMT2AOPRM1OPRD1GAA
Hydrochloric Acid SCHEMBL7265511 0.82 KMT2A (0.54) MEN1KMT2AOPRM1OPRD1GAA
Tamolarizine SCHEMBL2194434 0.81 MEN1 (0.65) MEN1KMT2AOPRM1OPRD1GAA
Tamolarizine SCHEMBL29352586 0.81 MEN1 (0.65) MEN1KMT2AOPRM1OPRD1GAA
Hydrochloric Acid SCHEMBL10495000 0.81 KMT2A (0.65) MEN1KMT2AOPRM1OPRD1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0256890-B1 PHARMACEUTICAL COMPOSITION FOR PROTECTION OF BRAIN CELLS NIPPON CHEMIPHAR CO., LTD. (JP) 1992-09-02 EP disclosed
US-4835155-A Process for protection of brain cells NIPPON CHEMIPHAR CO., LTD. (JP) 1989-05-30 US disclosed
EP-0256890-A2 Pharmaceutical composition for protection of brain cells NIPPON CHEMIPHAR CO., LTD. (JP) 1988-02-24 EP disclosed
US-4528194-A 2-(4-Diphenylmethylpiperazinyl)-1-phenyl alkanol or their salts, a process for their production and a cerebral circulation-improving drug NIPPON CHEMIPHAR CO., LTD. (JP) 1985-07-09 US disclosed