SCHEMBL21075815

SCHEMBL21075815

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

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.64
▸ SCN7A Q01118 3/20 0.40
▸ SCN5A Q14524 3/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL17428627 0.86 SCN9A (0.67) SCN9ASCN7ASCN5AFFAR4
SCHEMBL15543440 0.85 SCN9A (0.68) SCN9ASCN7ASCN5AFFAR4
SCHEMBL17428406 0.83 SCN9A (0.64) SCN9ASCN7ASCN5AFFAR4
SCHEMBL20680118 0.83 SCN9A (0.64) SCN9ASCN7ASCN5AFFAR4
SCHEMBL19064937 0.83 SCN9A (0.64) SCN9ASCN7ASCN5AFFAR4
SCHEMBL21075271 0.83 SCN9A (0.66) SCN9ASCN7ASCN5A
SCHEMBL21075357 0.83 SCN9A (0.62) SCN9ASCN7ASCN5A
SCHEMBL19430740 0.82 SCN9A (0.68) SCN9ASCN7ASCN5AFFAR4
SCHEMBL17422975 0.82 SCN9A (0.64) SCN9ASCN7ASCN5A
SCHEMBL17422979 0.82 SCN9A (0.64) SCN9ASCN7ASCN5A

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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