SCHEMBL2305572

SCHEMBL2305572

O=C(O)N1CCC(CN2C(=O)C3(COc4cc(F)c(F)cc43)c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.59
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
SCHEMBL484110 0.88 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL13973794 0.87 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12314867 0.87 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2306217 0.87 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL484121 0.87 SCN9A (0.45) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL2304101 0.87 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2306115 0.86 SCN9A (0.63) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12314866 0.85 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL3334578 0.85 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281682 0.82 SCN9A (0.67) 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-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed