SCHEMBL328251

SCHEMBL328251

CCCN1C(=O)C2(COc3cc(O)c(O)cc32)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.66
ALDH1A1 P00352 2/20 0.48
SCN7A Q01118 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL10289271 0.93 SCN9A (0.72) SCN9AALDH1A1
SCHEMBL10289026 0.89 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL328294 0.88 SCN9A (0.65) SCN9A
SCHEMBL328268 0.88 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL328160 0.87 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289188 0.87 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280937 0.86 SCN9A (0.86) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289485 0.84 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289199 0.84 SCN9A (0.58) SCN9AALDH1A1
SCHEMBL10288983 0.84 SCN9A (0.52) 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 2 patents. 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
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed