SCHEMBL3124343

SCHEMBL3124343

CC(=O)Nc1cc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)ccc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.77
▸ KCNH2 Q12809 2/20 0.63
▸ SCN5A Q14524 2/20 0.59
▸ SCN4A P35499 1/20 0.57
▸ SCN3A Q9NY46 1/20 0.57

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
SCHEMBL3121633 0.91 SCN9A (0.72) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3128497 0.90 SCN9A (0.79) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3116491 0.90 SCN9A (0.78) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124264 0.90 SCN9A (0.78) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124541 0.89 SCN9A (0.77) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3125959 0.88 SCN9A (0.75) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3240908 0.87 SCN9A (1.00) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3246867 0.84 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3241429 0.83 SCN9A (0.83) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124755 0.83 SCN9A (0.84) SCN9AKCNH2SCN5ASCN4ASCN3A

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
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