SCHEMBL3246714

SCHEMBL3246714

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccc(F)cc4)CC3)n2)c1C

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.85
▸ SCN5A Q14524 4/20 0.83
▸ KCNH2 Q12809 4/20 0.83
▸ SCN4A P35499 1/20 0.68
▸ SCN3A Q9NY46 1/20 0.68

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
SCHEMBL3244204 0.92 SCN9A (0.81) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3126802 0.92 SCN9A (1.00) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3124449 0.92 SCN9A (0.82) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3130210 0.91 SCN9A (0.85) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240824 0.91 SCN9A (0.71) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL19922242 0.91 SCN9A (1.00) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL19922255 0.91 SCN9A (1.00) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3238874 0.91 SCN9A (0.79) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3243928 0.89 SCN9A (0.85) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3131816 0.89 SCN9A (0.81) SCN9ASCN5AKCNH2SCN4ASCN3A

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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