Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176642

CCCc1cccc(CCC)c1N=Cc1cc(C)cc(C=Nc2c(CCC)cccc2CCC)n1.[Cl-].[Cl-].[Fe+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 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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 SCHEMBL7183848 0.97 GRM5 (0.35) GRM5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7177587 0.97 GRM5 (0.35) GRM5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7179139 0.97 GRM5 (0.35) GRM5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7175687 0.97 GRM5 (0.35) GRM5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7182006 0.97 GRM5 (0.35) GRM5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7177068 0.92 CYP3A4 (0.36) NOS2
Hydrochloric Acid SCHEMBL7177023 0.90 NOS3 (0.33) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7181720 0.89 CYP3A4 (0.36) NOS2
Hydrochloric Acid SCHEMBL7179236 0.89 CYP3A4 (0.36) NOS2
Hydrochloric Acid SCHEMBL7179597 0.89 CYP3A4 (0.36) 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