SCHEMBL17428627

SCHEMBL17428627

CC(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 16/20 0.67
▸ SCN5A Q14524 2/20 0.40
▸ SCN7A Q01118 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37

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
SCHEMBL15543440 0.91 SCN9A (0.68) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL15599056 0.89 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL21075815 0.86 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4
SCHEMBL21075477 0.85 SCN9A (0.69) SCN9ASCN5ASCN7AFFAR4
SCHEMBL21075271 0.85 SCN9A (0.66) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19430740 0.85 SCN9A (0.68) SCN9ASCN5ASCN7AFFAR4
SCHEMBL20680118 0.84 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4
SCHEMBL17428406 0.84 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4
SCHEMBL20697703 0.84 SCN9A (0.58) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL19064937 0.84 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4

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-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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