SCHEMBL15537121

SCHEMBL15537121

N#CC1(COc2cc(F)c(C(=O)O)cc2C2CC2)C2C[C@H]3C[C@H](C2)C[C@@H]1C3

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.73
SCN5A Q14524 3/20 0.48
SCN7A Q01118 2/20 0.48

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
SCHEMBL15536750 1.00 SCN9A (0.73) SCN9ASCN5ASCN7A
SCHEMBL15558335 0.86 SCN9A (0.69) SCN9ASCN5ASCN7A
SCHEMBL21075341 0.86 SCN9A (0.69) SCN9ASCN5ASCN7A
SCHEMBL15536179 0.85 SCN9A (0.72) SCN9ASCN5A
SCHEMBL19064718 0.85 SCN9A (0.72) SCN9ASCN5A
SCHEMBL16435043 0.85 SCN9A (1.00) SCN9ASCN5ASCN7A
SCHEMBL17428603 0.84 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL19064879 0.84 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL19064880 0.84 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL16448505 0.83 SCN9A (1.00) SCN9ASCN5ASCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855428-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN Genentech, Inc. (US) 2015-04-08 EP disclosed
WO-2013177224-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN GENENTECH, INC. (US) 2013-11-28 WO disclosed