Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5035664

Cl.Cl.N=C(N)N(CCCCC1CCN(CCCO)CC1)C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.34

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
SCNN1A known ✓ P37088 2/20 0.32
GLA known ✓ P06280 3/20 0.32
GAA known ✓ P10253 2/20 0.32
CHRM2 known ✓ P08172 6/20 0.31
CHRM4 known ✓ P08173 6/20 0.31
CHRM5 known ✓ P08912 6/20 0.31
CHRM1 known ✓ P11229 6/20 0.31
CHRM3 known ✓ P20309 6/20 0.31
DRD2 known ✓ P14416 3/20 0.31
DRD4 known ✓ P21917 3/20 0.31
DRD3 known ✓ P35462 3/20 0.31
HTR1A known ✓ P08908 1/20 0.30
MAOA known ✓ P21397 1/20 0.30
ADRA1A known ✓ P35348 1/20 0.30
OPRM1 known ✓ P35372 1/20 0.30
HTR2B known ✓ P41595 1/20 0.30
SLC9A5 Q14940 3/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32

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 SCHEMBL5037070 0.92 KDM4E (0.32) SLC9A5SCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5037024 0.90 SLC6A2 (0.33)
SCHEMBL5029498 0.86 SCNN1A (0.31) SLC9A5SCNN1AKDM4EALDH1A1GLA
SCHEMBL4919013 0.81 SCNN1A (0.34) SLC9A5SCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5037022 0.80 SCNN1A (0.31) SCNN1APLAU
Hydrochloric Acid SCHEMBL4693835 0.79 KDM4E (0.46) SLC9A5SCNN1AKDM4EALDH1A1GLA
Bromide SCHEMBL4693421 0.78 SCNN1A (0.44) SLC9A5SCNN1AKDM4EALDH1A1GLA
Hydrochloric Acid SCHEMBL5031385 0.78 SCNN1A (0.39) SCNN1AKDM4EALDH1A1GLAHPGD
Bromide SCHEMBL4789642 0.76 SCNN1A (0.43) SLC9A5SCNN1AKDM4EALDH1A1GLA
SCHEMBL14189634 0.76 SCNN1A (0.40) SCNN1AKDM4EALDH1A1GLAHPGD

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-1670474-A4 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-08-06 EP disclosed
EP-1670474-A2 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-21 EP disclosed
WO-2005016879-A2 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-02-24 WO disclosed