SCHEMBL20652608

SCHEMBL20652608

COc1cc(Cl)ccc1Oc1cc(C(F)(F)C(F)(F)F)ccc1C(=O)Nc1cccc(C)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.58
▸ SCN10A Q9Y5Y9 4/20 0.58

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
SCHEMBL20638639 0.88 SCN8A (0.56) SCN8ASCN10A
SCHEMBL16398455 0.87 — —
SCHEMBL30535928 0.87 — —
SCHEMBL19563666 0.86 SCN8A (0.53) SCN8ASCN10A
SCHEMBL20644043 0.81 SCN8A (0.54) SCN8ASCN10A
SCHEMBL31297308 0.81 SCN8A (0.54) SCN8ASCN10A
SCHEMBL16408283 0.79 — —
SCHEMBL30853207 0.79 SCN8A (0.69) SCN8ASCN10A
SCHEMBL29179819 0.79 SCN8A (0.69) SCN8ASCN10A
SCHEMBL17791084 0.79 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019014352-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-17 — — WO disclosed
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