Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11076075

CCc1nc2c(nc1N)CCN(CC)CC2.Cl.Cl

nearest known ligand 0.55

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
DRD2 known ✓ P14416 1/20 0.37
KCNH2 known ✓ Q12809 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.32
GAA known ✓ P10253 3/20 0.32
LMNA P02545 2/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
CYP3A4 P08684 2/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAD52 P43351 4/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRM5 P41594 1/20 0.31
DHFR P00374 3/20 0.31

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 SCHEMBL11074525 0.81 LMNA (0.57) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11068624 0.79 LMNA (0.55) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11066413 0.79 LMNA (0.55) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11312141 0.77 LMNA (0.53) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11075901 0.72 LMNA (0.48) LMNABLMPMP22CYP3A4TSHR
Azepexole SCHEMBL10434847 0.71 LMNA (1.00) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11068467 0.71 LMNA (0.54) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11075152 0.71 LMNA (0.54) LMNABLMPMP22CYP3A4TSHR
Azepexole SCHEMBL12481538 0.71 LMNA (1.00) LMNABLMPMP22CYP3A4TSHR
Hydrochloric Acid SCHEMBL11073940 0.71 LMNA (0.47) LMNABLMPMP22CYP3A4TSHR

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
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 EP disclosed