SCHEMBL3238300

SCHEMBL3238300

CC(=O)Nc1cc(Nc2ncnc(N3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)n2)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.73
▸ SCN5A Q14524 3/20 0.73
▸ SCN4A P35499 1/20 0.61
▸ SCN3A Q9NY46 1/20 0.61
▸ KCNH2 Q12809 3/20 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
SCHEMBL3243380 0.92 SCN9A (0.78) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3242020 0.91 SCN9A (0.74) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3116491 0.91 SCN9A (0.78) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3251379 0.91 SCN9A (0.70) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3248260 0.87 SCN9A (0.61) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3243968 0.86 SCN9A (0.72) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3246937 0.86 SCN9A (0.85) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3241052 0.85 SCN9A (0.68) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3244254 0.85 SCN9A (0.67) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3244028 0.85 SCN9A (1.00) SCN9ASCN5ASCN4ASCN3AKCNH2

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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