SCHEMBL15535847

SCHEMBL15535847

COC(=O)c1cc(I)c(OCC23CC4CC(CC(C4)C2)C3)cc1F

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.72
SCN5A Q14524 5/20 0.54
SCN7A Q01118 1/20 0.53

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
SCHEMBL15536834 0.87 SCN9A (0.69) SCN9ASCN5ASCN7A
SCHEMBL15535556 0.86 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL15537703 0.84 SCN9A (1.00) SCN9ASCN5ASCN7A
SCHEMBL15536846 0.83 SCN9A (0.59) SCN9ASCN5ASCN7A
SCHEMBL15548816 0.83 SCN9A (0.66) SCN9ASCN5ASCN7A
SCHEMBL15536842 0.78 SCN9A (1.00) SCN9ASCN5ASCN7A
SCHEMBL19431019 0.76 SCN9A (0.52) SCN9ASCN5ASCN7A
SCHEMBL19412183 0.76 SCN9A (0.52) SCN9ASCN5ASCN7A
SCHEMBL16448664 0.76 SCN9A (0.61) SCN9ASCN5A
SCHEMBL15536029 0.76 SCN9A (0.61) 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 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