SCHEMBL30261496

SCHEMBL30261496

CC(C)COc1cc(F)c(C(=O)OC(C)(C)C)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.44
▸ SCN5A Q14524 3/20 0.44
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL16770853 0.89 SCN9A (0.43) SCN9ASCN5A
SCHEMBL16759010 0.87 SCN9A (0.41) SCN9ASCN5A
SCHEMBL16759604 0.86 SCN9A (0.42) SCN9ASCN5A
SCHEMBL16448627 0.82 SCN9A (0.66) SCN9ASCN5A
SCHEMBL15558549 0.82 SCN9A (0.64) SCN9ASCN5A
SCHEMBL16448611 0.81 SCN9A (0.60) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16448723 0.81 SCN9A (0.65) SCN9ASCN5A
SCHEMBL15557587 0.81 SCN9A (0.65) SCN9ASCN5A
SCHEMBL30261612 0.81 SCN7A (0.47) SCN9ASCN5A
SCHEMBL16770388 0.81 SCN9A (0.50) SCN9ASCN5A

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-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 — — WO disclosed
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