SCHEMBL3252048

SCHEMBL3252048

CC(=O)Nc1c(C)ccc(Nc2ncnc(N3CCc4cc(OCCC(F)(F)F)ccc4C3)n2)c1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.62
▸ SCN5A Q14524 5/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ SCN4A P35499 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ ACACB O00763 1/20 0.43

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
SCHEMBL3118534 0.90 SCN9A (0.68) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240647 0.90 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3240652 0.84 SCN9A (0.60) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3235790 0.83 SCN9A (0.56) SCN9ASCN5AKCNH2
SCHEMBL3253423 0.82 SCN9A (0.58) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3247845 0.82 SCN9A (0.78) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3242606 0.80 SCN9A (0.67) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3243877 0.79 SCN9A (0.68) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3250414 0.77 SCN9A (0.59) SCN9ASCN5AKCNH2SCN4ASCN3A
SCHEMBL3251227 0.77 SCN9A (0.67) 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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