Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7177705

CCCCc1cccc(CCCC)c1N=Cc1cc(C)cc(C=Nc2c(CCCC)cccc2CCCC)n1.[Cl-].[Cl-].[V+2]

nearest known ligand 0.36

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 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TLR8 Q9NR97 10/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 1/20 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 SCHEMBL7185083 0.97 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7179597 0.97 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7179236 0.97 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7181720 0.97 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7177068 0.97 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7175687 0.92 GRM5 (0.35) NOS2
Hydrochloric Acid SCHEMBL7177566 0.90 NOS2 (0.36) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7177962 0.89 TLR8 (0.34) CYP3A4CYP2D6CYP2C9TLR8NOS2
Hydrochloric Acid SCHEMBL7179139 0.89 GRM5 (0.35) NOS2KCNH2
Hydrochloric Acid SCHEMBL7177587 0.89 GRM5 (0.35) NOS2

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