Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7705385

CC(=O)Nc1ccc(CCN(C)C(C)COc2c(C)cccc2C)cc1.CC(=O)Nc1ccc(CCN(C)C(C)COc2c(C)cccc2C)cc1.Cl.Cl.Cl.O

nearest known ligand 0.50

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
SCN8A known ✓ Q9UQD0 1/20 0.50
HRH3 known ✓ Q9Y5N1 1/20 0.40
SCN1A known ✓ P35498 1/20 0.39
SCN5A known ✓ Q14524 1/20 0.39
SCN9A known ✓ Q15858 1/20 0.39
ADRB2 known ✓ P07550 1/20 0.38
ADRB1 known ✓ P08588 1/20 0.38
ADRB3 known ✓ P13945 1/20 0.38
SCN4A known ✓ P35499 2/20 0.36
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 2/20 0.38
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7696141 0.98 SCN8A (0.52) SCN8AHRH3LMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL7695266 0.87 ADRB1 (0.46) LMNAMEN1KMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL7701313 0.86 ALDH1A1 (0.40) SCN8ALMNASCN1ASCN5ASCN9A
SCHEMBL7697063 0.85 HRH3 (0.43) SCN8AHRH3LMNAMEN1KMT2A
SCHEMBL7699370 0.84 ALDH1A1 (0.41) SCN8ALMNASCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL7696256 0.82 KCNH2 (0.48) LMNASCN1ASCN5ASCN9ACYP2D6
Hydrochloric Acid SCHEMBL7701103 0.82 KCNH2 (0.48) LMNASCN1ASCN5ASCN9ACYP2D6
Hydrochloric Acid SCHEMBL7696254 0.82 KCNH2 (0.48) LMNASCN1ASCN5ASCN9ACYP2D6
SCHEMBL7701469 0.81 SCN4A (0.40) SCN8ALMNASCN1ASCN5ASCN9A
SCHEMBL7697484 0.81 KCNH2 (0.49) LMNACYP2D6ADRB2ADRB1ADRB3

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-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
EP-1037871-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-09-27 EP disclosed
WO-1999029655-A1 NOVEL ANTIARRHYTHMIC COMPOUNDS Gyógyszerkutató Intézet Kft. (HU) 1999-06-17 WO disclosed