SCHEMBL17423179

SCHEMBL17423179

CC(C)(C)C1CCC(C(=O)O)N1C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.57
▸ FFAR2 O15552 4/20 0.36
▸ SCN5A Q14524 3/20 0.35
▸ SCN7A Q01118 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33

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
SCHEMBL17428454 0.83 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL17423164 0.83 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL15543440 0.82 SCN9A (0.68) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL17428627 0.81 SCN9A (0.67) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL21075477 0.81 SCN9A (0.69) SCN9ASCN5ASCN7AFFAR4
SCHEMBL15599056 0.80 SCN9A (0.64) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL19075785 0.78 SCN9A (0.59) SCN9ASCN5ASCN7A
SCHEMBL17423344 0.77 SCN9A (0.63) SCN9ASCN5ASCN7A
SCHEMBL17428730 0.77 SCN9A (0.63) SCN9ASCN5ASCN7A
SCHEMBL21075619 0.77 SCN9A (0.62) SCN9ASCN5ASCN7A

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
EP-3166939-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2017-05-17 — — EP disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 — — WO disclosed
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