SCHEMBL4038548

SCHEMBL4038548

O=CCc1cccc(-c2ccccc2OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.53
SCN9A Q15858 15/20 0.50
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
TRPA1 O75762 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
CTSA P10619 1/20 0.43

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
SCHEMBL3725415 0.82 SCN9A (0.52) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL27699819 0.82 SCN9A (0.58) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL22888745 0.82 SCN9A (0.52) FFAR1SCN9ATRPA1
SCHEMBL19920167 0.81 HTR7 (0.64) FFAR1CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL27730890 0.80 SCN9A (0.62) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL4038509 0.79 SCN9A (0.59) SCN9ACYP2C9CYP3A4CYP2D6TRPA1
SCHEMBL4699892 0.78 FFAR1 (0.47) FFAR1SCN9ATRPA1SCN10A
SCHEMBL22190063 0.76 MAPK1 (0.57) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL22189996 0.76 MAPK1 (0.57) FFAR1SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL22189994 0.76 MAPK1 (0.57) FFAR1SCN9ACYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501509-A4 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2009-07-15 EP disclosed
EP-1618099-A4 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-07-16 EP disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
EP-1618099-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-25 EP disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
EP-1501509-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2004094395-A2 BIARYL SUBSTITUTED THIAZOLES, OXAZOLES AND IMIDAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-11-04 WO disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
WO-2004024061-A2 ARYL-LINK-ARYL SUBSTITUTED THIAZOLIDINE-DIONE AND OXAZOLIDINE-DIONE AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-03-25 WO disclosed