SCHEMBL21075295

SCHEMBL21075295

CN(C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F)C1(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.52
SCN5A Q14524 6/20 0.49
SCN7A Q01118 3/20 0.49

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
SCHEMBL21075687 0.92 SCN9A (0.46) SCN9ASCN5ASCN7A
SCHEMBL17423150 0.90 SCN9A (0.66) SCN9ASCN5ASCN7A
SCHEMBL21075396 0.90 SCN9A (0.49) SCN9ASCN5ASCN7A
SCHEMBL21075313 0.86 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL21075371 0.85 SCN9A (0.54) SCN9ASCN5ASCN7A
SCHEMBL21075580 0.82 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL21075392 0.82 SCN9A (0.63) SCN9ASCN5ASCN7A
SCHEMBL21075382 0.81 SCN9A (0.51) SCN9ASCN5ASCN7A
SCHEMBL21075122 0.80 SCN9A (0.55) SCN9ASCN5ASCN7A
SCHEMBL17428653 0.80 SCN9A (0.61) SCN9ASCN5ASCN7A

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