Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176544

CCCc1cccc(CCC)c1N=C(C)c1cccc(C(C)=Nc2c(CCC)cccc2CCC)n1.[Cl-].[Cl-].[Cl-].[Fe+3]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 1/20 0.32
TOP2A P11388 1/20 0.31
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DAO P14920 1/20 0.31
ELANE P08246 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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 SCHEMBL7176460 0.97 GRM5 (0.35) GRM5CYP1A2KCNH2TOP2AHTR2A
Hydrochloric Acid SCHEMBL7178255 0.97 GRM5 (0.35) GRM5CYP1A2KCNH2TOP2AHTR2A
Hydrochloric Acid SCHEMBL7179296 0.97 GRM5 (0.35) GRM5CYP1A2KCNH2TOP2AHTR2A
Hydrochloric Acid SCHEMBL7178930 0.97 GRM5 (0.35) GRM5CYP1A2KCNH2TOP2AHTR2A
Hydrochloric Acid SCHEMBL7172115 0.97 GRM5 (0.35) GRM5CYP1A2KCNH2TOP2AHTR2A
Hydrochloric Acid SCHEMBL7171425 0.91 KCNH2 (0.37) KCNH2KDM4ELMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7173142 0.88 GRIN2D (0.32) CYP1A2HSP90AA1
Hydrochloric Acid SCHEMBL7181934 0.88 GRM5 (0.35) GRM5CYP1A2HTR2AELANEHTT
Hydrochloric Acid SCHEMBL7180525 0.88 CYP1A2 (0.33) GRM5CYP1A2HSP90AA1
Hydrochloric Acid SCHEMBL7172221 0.88 KCNH2 (0.37) KCNH2KDM4ELMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed