Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10495000

COc1cc(C(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC.Cl

nearest known ligand 0.65

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 0.65
OPRD1 known ✓ P41143 1/20 0.65
CACNA2D1 known ✓ P54289 1/20 0.59
CACNA1B known ✓ Q00975 1/20 0.59
CACNB1 known ✓ Q02641 1/20 0.59
CACNA1C known ✓ Q13936 1/20 0.59
GAA known ✓ P10253 2/20 0.49
ADRA1D known ✓ P25100 1/20 0.47
ADRA1A known ✓ P35348 1/20 0.47
ADRA1B known ✓ P35368 1/20 0.47
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
IGF1R P08069 1/20 0.57
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 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
SCHEMBL10985091 0.99 KMT2A (0.67) KMT2AMEN1OPRM1OPRD1CACNA2D1
Tamolarizine SCHEMBL29352586 0.88 MEN1 (0.65) KMT2AMEN1OPRM1OPRD1IGF1R
Tamolarizine SCHEMBL2194434 0.88 MEN1 (0.65) KMT2AMEN1OPRM1OPRD1IGF1R
Tamolarizine SCHEMBL1230722 0.88 MEN1 (0.65) KMT2AMEN1OPRM1OPRD1IGF1R
Tamolarizine SCHEMBL331314 0.87 KMT2A (0.67) KMT2AMEN1OPRM1OPRD1CACNA2D1
Hydrochloric Acid SCHEMBL7265661 0.84 KMT2A (0.59) KMT2AMEN1OPRM1OPRD1CACNA2D1
Hydrochloric Acid SCHEMBL7271730 0.84 KMT2A (0.62) KMT2AMEN1OPRM1OPRD1IGF1R
SCHEMBL7265289 0.82 KMT2A (0.60) KMT2AMEN1OPRM1OPRD1CACNA2D1
Hydrochloric Acid SCHEMBL10990138 0.82 MEN1 (0.97) KMT2AMEN1OPRM1OPRD1IGF1R
Hydrochloric Acid SCHEMBL7272686 0.81 MEN1 (0.57) KMT2AMEN1OPRM1OPRD1CACNA2D1

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
US-4835155-A Process for protection of brain cells NIPPON CHEMIPHAR CO., LTD. (JP) 1989-05-30 US 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