SCHEMBL284979

SCHEMBL284979

O=C(Cl)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)OOC5)c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.44
SCN7A Q01118 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL284980 0.87 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2308114 0.84 SCN9A (0.46) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281110 0.79 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305772 0.79 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3327980 0.78 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282061 0.78 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2304619 0.78 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289195 0.78 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281224 0.76 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281186 0.76 SCN9A (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A

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-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed