SCHEMBL3116491

SCHEMBL3116491

CC(=O)Nc1cc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)ccc1F

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.78
▸ KCNH2 Q12809 2/20 0.64
▸ SCN5A Q14524 2/20 0.61
▸ SCN4A P35499 1/20 0.60
▸ SCN3A Q9NY46 1/20 0.60

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
SCHEMBL3251379 0.92 SCN9A (0.70) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3128497 0.91 SCN9A (0.79) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3238300 0.91 SCN9A (0.73) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124264 0.90 SCN9A (0.78) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3243380 0.90 SCN9A (0.78) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124541 0.90 SCN9A (0.77) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3124343 0.90 SCN9A (0.77) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3242020 0.89 SCN9A (0.74) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3243968 0.89 SCN9A (0.72) SCN9AKCNH2SCN5ASCN4ASCN3A
SCHEMBL3125959 0.89 SCN9A (0.75) 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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