SCHEMBL22912693

SCHEMBL22912693

CS(=N)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC2C4)C3)cc1F

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.69
SCN5A Q14524 8/20 0.69
SCN7A Q01118 5/20 0.69
SCN2B O60939 1/20 0.59
SCN1A P35498 1/20 0.59
SCN4A P35499 1/20 0.59
SCN1B Q07699 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN8A Q9UQD0 1/20 0.59

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
SCHEMBL19429999 0.90 SCN9A (0.85) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL22912709 0.87 SCN9A (0.68) SCN9ASCN5A
SCHEMBL21075392 0.82 SCN9A (0.63) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428669 0.82 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL22912704 0.82 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL15537023 0.82 SCN9A (1.00) SCN9ASCN5ASCN7A
SCHEMBL17428412 0.82 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075385 0.82 SCN9A (0.61) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075632 0.81 SCN9A (0.56) SCN9ASCN5ASCN7A
SCHEMBL21075375 0.81 SCN9A (0.60) SCN9ASCN5ASCN7ASCN2BSCN1A

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-3436432-B1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH INC (US) 2021-01-27 EP disclosed