SCHEMBL3251227

SCHEMBL3251227

CC(=O)Nc1cc(Nc2ncnc(N3CCc4cc(OC(F)(F)F)ccc4C3)n2)ccc1C

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.67
▸ SCN5A Q14524 3/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ SCN4A P35499 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48

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
SCHEMBL3245200 0.92 SCN9A (0.67) SCN9ASCN5AKCNH2
SCHEMBL3126826 0.92 SCN9A (0.66) SCN9ASCN5AKCNH2
SCHEMBL3239650 0.88 SCN9A (0.77) SCN9ASCN5AKCNH2
SCHEMBL3240647 0.87 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3243877 0.87 SCN9A (0.68) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3242984 0.85 SCN9A (0.64) SCN9ASCN5AKCNH2
SCHEMBL3244984 0.85 SCN9A (0.66) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240652 0.84 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3253423 0.82 SCN9A (0.58) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3250414 0.81 SCN9A (0.59) 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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