SCHEMBL328137

SCHEMBL328137

COC(=O)c1cccc(CN2C(=O)C3(COc4cc(O)c(O)cc43)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.49
GSK3B P49841 1/20 0.47
TRPA1 O75762 1/20 0.44
SCN7A Q01118 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43

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
SCHEMBL10289086 0.91 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281224 0.90 SCN9A (0.58) SCN9AGSK3BSCN7ASCN5ASCN2A
SCHEMBL2306833 0.90 SCN9A (0.56) SCN9AGSK3BTRPA1SCN7ASCN5A
SCHEMBL10289195 0.89 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3331105 0.87 SCN9A (0.49) SCN9AGSK3BTRPA1SCN7ASCN5A
SCHEMBL328254 0.84 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289483 0.82 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289089 0.82 NPC1 (0.49) SCN9A
SCHEMBL328140 0.81 SCN9A (0.50) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281302 0.81 SCN9A (0.59) 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