SCHEMBL21075461

SCHEMBL21075461

O=C(c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F)N1CCCC1ONO

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.61
SCN5A Q14524 11/20 0.60
SCN7A Q01118 6/20 0.60
SCN2B O60939 1/20 0.60
SCN1A P35498 1/20 0.60
SCN4A P35499 1/20 0.60
SCN1B Q07699 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN8A Q9UQD0 1/20 0.60

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
SCHEMBL21075239 0.87 SCN9A (0.66) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21075718 0.86 SCN9A (0.61) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428715 0.86 SCN9A (0.61) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428288 0.85 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428706 0.85 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17422996 0.85 SCN9A (0.64) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423167 0.83 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17428674 0.83 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423347 0.83 SCN9A (0.62) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL17423330 0.83 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