SCHEMBL3246121

SCHEMBL3246121

N#CCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.78
KCNH2 Q12809 2/20 0.53
SCN5A Q14524 1/20 0.50

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
SCHEMBL3246681 0.89 SCN9A (0.84) SCN9AKCNH2SCN5A
SCHEMBL3122980 0.89 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3239402 0.88 SCN9A (0.81) SCN9AKCNH2SCN5A
SCHEMBL3240908 0.88 SCN9A (1.00) SCN9AKCNH2SCN5A
SCHEMBL3126346 0.87 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3241005 0.86 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3126480 0.86 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL3116482 0.85 SCN9A (0.83) SCN9AKCNH2SCN5A
SCHEMBL3241927 0.85 SCN9A (0.83) SCN9AKCNH2SCN5A
SCHEMBL3251088 0.85 SCN9A (0.80) SCN9AKCNH2SCN5A

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed