SCHEMBL21075356

SCHEMBL21075356

Cc1cc(C)c(OCC2(C)CC3CC(C)CC(C3)C2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.44
SCN5A Q14524 3/20 0.34
SCN7A Q01118 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
SCHEMBL21075628 0.89 SCN9A (0.43) SCN9ASCN5A
SCHEMBL21075394 0.87 SCN9A (0.48) SCN9ASCN5ASCN7A
SCHEMBL23861726 0.78 SCN9A (0.43) SCN9ASCN5A
SCHEMBL20403793 0.77 SCN9A (0.33) SCN9ASCN5ASCN7A
SCHEMBL21075351 0.77 SCN9A (0.48) SCN9ASCN5ASCN7A
SCHEMBL21075163 0.73 SCN9A (0.47) SCN9ASCN5ASCN7A
SCHEMBL21075109 0.73 SCN9A (0.42) SCN9ASCN5A
SCHEMBL21075393 0.73 SCN9A (0.60) SCN9ASCN5ASCN7A
SCHEMBL18570792 0.72 SCN9A (0.39) SCN9ASCN5A
SCHEMBL18571359 0.72 SCN9A (0.41) 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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed