SCHEMBL16175353

SCHEMBL16175353

CC1(COc2ncc(Oc3cc(F)c(C(=O)OC(C)(C)C)cc3F)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.47
SCN5A Q14524 2/20 0.46

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
SCHEMBL16175363 0.88 SCN9A (0.49) SCN9ASCN5A
SCHEMBL16174920 0.85 SCN9A (0.49) SCN9ASCN5A
SCHEMBL16175358 0.85 SCN9A (0.54) SCN9ASCN5A
SCHEMBL1690323 0.84 SCN9A (0.49) SCN9ASCN5A
SCHEMBL16175082 0.84 SCN9A (0.48) SCN9ASCN5A
SCHEMBL10198095 0.83 SCN9A (0.47) SCN9ASCN5A
SCHEMBL16174926 0.82 SCN9A (0.68) SCN9ASCN5A
SCHEMBL15094328 0.82 SCN9A (0.51) SCN9ASCN5A
SCHEMBL15094290 0.81 SCN9A (0.44) SCN9ASCN5A
SCHEMBL17244933 0.81 SCN9A (0.58) SCN9ASCN5A

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-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed