SCHEMBL3125952

SCHEMBL3125952

CC(=O)Nc1cc(Nc2ncnc(N3CCC(OCc4cccc(C(F)(F)F)c4)CC3)n2)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.77
▸ SCN5A Q14524 3/20 0.65
▸ SCN4A P35499 1/20 0.58
▸ SCN3A Q9NY46 1/20 0.58
▸ KCNH2 Q12809 3/20 0.57

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
SCHEMBL3124264 0.90 SCN9A (0.78) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3240456 0.87 SCN9A (0.86) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3244254 0.87 SCN9A (0.67) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3126171 0.86 SCN9A (0.73) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3238300 0.84 SCN9A (0.73) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL17722240 0.82 SCN9A (1.00) SCN9A
SCHEMBL3243968 0.82 SCN9A (0.72) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3114006 0.82 SCN9A (0.72) SCN9ASCN5ASCN4ASCN3AKCNH2
SCHEMBL3116491 0.82 SCN9A (0.78) 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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