SCHEMBL2363516

SCHEMBL2363516

N=C(NO)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.53
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2305772 0.88 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2304619 0.87 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2306833 0.87 SCN9A (0.56) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL13963105 0.85 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305488 0.85 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3329938 0.85 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3329945 0.85 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3331507 0.85 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2303423 0.84 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2310486 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed