SCHEMBL3237314

SCHEMBL3237314

CC(=O)Nc1cccc(Nc2ncnc(N3CCc4cccc(C(F)(F)F)c4C3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.76
▸ KCNH2 Q12809 1/20 0.74
▸ SCN5A Q14524 1/20 0.74

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
SCHEMBL3252053 0.93 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3249717 0.89 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3248528 0.87 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL17722175 0.86 SCN9A (1.00) SCN9A
SCHEMBL3245002 0.85 SCN9A (1.00) SCN9AKCNH2SCN5A
SCHEMBL3241250 0.85 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3239518 0.85 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL3250809 0.84 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3244296 0.84 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3242483 0.83 SCN9A (0.73) 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
Send feedback