SCHEMBL21075102

SCHEMBL21075102

N#CC1(COc2cc(F)c(C(=O)N3CCC[C@H]3CC(=O)O)cc2C2CC2)C2CC3CC(C2)C1C3

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.55
SCN5A Q14524 4/20 0.40
SCN7A Q01118 3/20 0.40
SCN2B O60939 1/20 0.40
SCN1A P35498 1/20 0.40
SCN4A P35499 1/20 0.40
SCN1B Q07699 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40

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
SCHEMBL21075794 0.90 SCN9A (0.54) SCN9ASCN5A
SCHEMBL21075138 0.90 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19064880 0.81 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428603 0.81 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19064879 0.81 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075200 0.81 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075691 0.81 SCN9A (0.50) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075758 0.80 SCN9A (0.55) SCN9ASCN5A
SCHEMBL17428674 0.79 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423330 0.79 SCN9A (0.62) 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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed