SCHEMBL19388900

SCHEMBL19388900

CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC2CC3CC4CCC2C(C4)C3)cc1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.51
▸ SCN5A Q14524 3/20 0.46
▸ SCN7A Q01118 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
SCHEMBL19389020 0.88 SCN9A (0.55) SCN9ASCN5A
SCHEMBL16448624 0.86 SCN9A (0.66) SCN9ASCN5ASCN7A
SCHEMBL19388930 0.86 SCN9A (0.53) SCN9ASCN5A
SCHEMBL17069377 0.85 SCN9A (0.53) SCN9ASCN5A
SCHEMBL19388956 0.82 SCN9A (0.77) SCN9ASCN5ASCN7A
SCHEMBL16448723 0.80 SCN9A (0.65) SCN9ASCN5A
SCHEMBL19084140 0.80 SCN9A (0.46) SCN9ASCN5A
SCHEMBL20697829 0.78 SCN9A (0.52) SCN9ASCN5ASCN7A
SCHEMBL20697611 0.78 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL16448720 0.78 SCN9A (0.67) 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
US-9771376-B2 N-substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-09-26 — — US disclosed
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