SCHEMBL22912692

SCHEMBL22912692

CCC1(COc2cc(F)c(C(=O)NSN3CCC3)cc2C2CC2)CC2CC(C)CC(C2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.54
SCN5A Q14524 7/20 0.54
SCN7A Q01118 6/20 0.54
SCN2B O60939 1/20 0.54
SCN1A P35498 1/20 0.54
SCN4A P35499 1/20 0.54
SCN1B Q07699 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN8A Q9UQD0 1/20 0.54

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
SCHEMBL19430902 0.86 SCN9A (0.70) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL22912721 0.86 SCN9A (0.55) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18571061 0.81 SCN9A (0.54) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18571131 0.81 SCN9A (0.53) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19083767 0.80 SCN9A (0.54) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19389111 0.79 SCN9A (0.77) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075362 0.79 SCN9A (0.49) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075417 0.79 SCN9A (0.53) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL24263970 0.78 SCN9A (0.51) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075425 0.73 SCN9A (0.51) 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