SCHEMBL16448698

SCHEMBL16448698

C[C@@H]1C[C@H]1c1cc(C(=O)O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.66
SCN5A Q14524 5/20 0.57
SCN7A Q01118 2/20 0.57

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
SCHEMBL16449067 0.86 SCN9A (0.75) SCN9ASCN5ASCN7A
SCHEMBL15536874 0.86 SCN9A (0.81) SCN9ASCN5ASCN7A
SCHEMBL15535944 0.86 SCN9A (0.70) SCN9ASCN5ASCN7A
SCHEMBL17422994 0.84 SCN9A (0.67) SCN9ASCN5ASCN7A
SCHEMBL15535775 0.84 SCN9A (0.74) SCN9ASCN5ASCN7A
SCHEMBL15536376 0.83 SCN9A (0.71) SCN9ASCN5ASCN7A
SCHEMBL19411395 0.82 SCN9A (0.56) SCN9ASCN5ASCN7A
SCHEMBL15537471 0.82 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL15537282 0.82 SCN9A (0.71) SCN9ASCN5ASCN7A
SCHEMBL19411522 0.82 SCN9A (0.58) 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
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed