SCHEMBL16248407

SCHEMBL16248407

Cc1cc(Cl)cc(C[C@@H]2CCCN2C(=O)c2nc3cccc(Cl)c3nc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.61
HCRTR1 O43613 19/20 0.47
HCRTR2 O43614 19/20 0.47
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6991726 0.94 FABP4 (0.68) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL21966582 0.94 FABP4 (0.68) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6987893 0.89 FABP4 (0.60) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6985500 0.87 HCRTR1 (0.54) FABP4HCRTR1HCRTR2
SCHEMBL6988483 0.86 FABP4 (0.58) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6990510 0.85 HCRTR1 (0.56) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6991393 0.85 FABP4 (0.61) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3700092 0.84 FABP4 (0.67) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3700088 0.84 FABP4 (0.67) FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6989874 0.84 FABP4 (0.54) FABP4HCRTR1HCRTR2CYP3A4

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
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed