SCHEMBL21075290

SCHEMBL21075290

C[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(C3CC3)c(OCC34CC5CC(C3)C(C5)C4)cc2F)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.57
SCN5A Q14524 11/20 0.55
SCN7A Q01118 5/20 0.54
SCN2B O60939 1/20 0.52
SCN1A P35498 1/20 0.52
SCN4A P35499 1/20 0.52
SCN1B Q07699 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN8A Q9UQD0 1/20 0.52

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
SCHEMBL21075307 1.00 SCN9A (0.57) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19064897 0.96 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428408 0.96 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423139 0.96 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075386 0.92 SCN9A (0.58) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075601 0.90 SCN9A (0.60) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19084108 0.89 SCN9A (0.56) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075635 0.88 SCN9A (0.55) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423111 0.88 SCN9A (0.63) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423158 0.88 SCN9A (0.63) 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