Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7027262

CCOc1ccc(Oc2ccc(OCc3ccc(F)cc3F)cc2)c(N)c1.Cl

nearest known ligand 0.80

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
CACNA1C known ✓ Q13936 1/20 0.80
MAOB known ✓ P27338 1/20 0.49
SLC6A2 known ✓ P23975 3/20 0.39
SLC6A4 known ✓ P31645 3/20 0.39
SLC6A3 known ✓ Q01959 3/20 0.39
GAA known ✓ P10253 1/20 0.38
SCN8A known ✓ Q9UQD0 1/20 0.38
SCN10A known ✓ Q9Y5Y9 1/20 0.38
ACE known ✓ P12821 1/20 0.38
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
GSK3B P49841 2/20 0.43
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL7028351 0.91 CACNA1C (0.98) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL29447128 0.89 CACNA1C (1.00) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL742344 0.89 CACNA1C (1.00) CACNA1CMAPTLMNAATML3MBTL1
Hydrochloric Acid SCHEMBL7028806 0.84 CACNA1C (0.56) CACNA1CMAPTMAOBIDO1AGXT
Hydrochloric Acid SCHEMBL7024465 0.82 CACNA1C (0.68) CACNA1CMAPTLMNAATML3MBTL1
Hydrochloric Acid SCHEMBL7024460 0.81 CACNA1C (0.67) CACNA1CMAPTLMNAATML3MBTL1
Hydrochloric Acid SCHEMBL7026436 0.81 CACNA1C (0.65) CACNA1CMAPTLMNAATML3MBTL1
Hydrochloric Acid SCHEMBL7024049 0.80 CACNA1C (0.67) CACNA1CMAPTLMNAATML3MBTL1
Hydrochloric Acid SCHEMBL7030534 0.80 CACNA1C (0.78) CACNA1CMAPTLMNAATML3MBTL1
SCHEMBL8055937 0.80 CACNA1C (0.67) CACNA1CMAPTLMNAATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031556-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-22 EP disclosed
US-6162832-A 2-Phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., INC. (JP) 2000-12-19 US disclosed
EP-1031556-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-08-30 EP disclosed