SCHEMBL21075707

SCHEMBL21075707

O=C(O)C1CC=NN1C(=O)c1cc(C2CC2)c(OCC23CC4CC2CC4C3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.44
SCN5A Q14524 12/20 0.43
SCN7A Q01118 5/20 0.41
SCN2B O60939 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
SCN1B Q07699 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41

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
SCHEMBL17428316 0.92 SCN9A (0.50) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423317 0.86 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075463 0.82 SCN9A (0.48) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075447 0.82 SCN9A (0.48) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075436 0.82 SCN9A (0.48) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075456 0.82 SCN9A (0.47) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075106 0.82 SCN9A (0.47) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075490 0.82 SCN9A (0.56) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075491 0.82 SCN9A (0.48) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075814 0.82 SCN9A (0.48) 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