SCHEMBL21075479

SCHEMBL21075479

C=C(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.53
▸ SCN5A Q14524 2/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ RXRA P19793 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ SCN1A P35498 1/20 0.30
▸ SCN2A Q99250 1/20 0.30

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
SCHEMBL17428770 0.89 SCN9A (0.54) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL19064870 0.89 SCN9A (0.54) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL15599056 0.84 SCN9A (0.64) SCN9ASCN5ASCN7ARXRANR1H2
SCHEMBL17423042 0.82 SCN9A (0.56) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL17423038 0.82 SCN9A (0.56) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL21075127 0.81 SCN9A (0.56) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL17428627 0.81 SCN9A (0.67) SCN9ASCN5ASCN7AFFAR4SCN1A
SCHEMBL17428605 0.80 SCN9A (0.60) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL19064710 0.80 SCN9A (0.60) SCN9ASCN5ASCN7ASCN1ASCN2A
SCHEMBL15543440 0.78 SCN9A (0.68) SCN9ASCN5ASCN7AFFAR4SCN1A

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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
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