SCHEMBL16119796

SCHEMBL16119796

CC1CC2CC(C)C(Oc3cc4nnc(NS(=O)(=O)C5CC5)n4cc3C3CC3)C(C1)C2

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.80
SCN1A P35498 2/20 0.56
SCN5A Q14524 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN8A Q9UQD0 2/20 0.56

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
SCHEMBL16119793 1.00 SCN9A (0.80) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16103349 0.89 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL18400055 0.83 SCN9A (0.84) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL18400108 0.81 SCN9A (0.76) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL16119783 0.81 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17418039 0.81 SCN9A (1.00) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL18400135 0.80 SCN9A (0.73) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL18400048 0.79 SCN9A (0.64) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL17433231 0.78 SCN9A (0.81) SCN9ASCN1ASCN5ASCN2ASCN8A
SCHEMBL18400156 0.76 SCN9A (0.72) SCN9ASCN1ASCN5ASCN2ASCN8A

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
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed