SCHEMBL20096149

SCHEMBL20096149

CN[C@H]1CCCCC1Nc1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2nccs2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.47

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
SCHEMBL20063692 1.00 SCN9A (0.47) SCN9A
SCHEMBL20063697 0.93 SCN9A (0.46) SCN9A
SCHEMBL20063743 0.92 SCN9A (0.57) SCN9A
SCHEMBL20063676 0.91 SCN9A (0.44) SCN9A
SCHEMBL20063711 0.91 SCN9A (0.38) SCN9A
SCHEMBL20063698 0.91 SCN9A (0.55) SCN9A
SCHEMBL20095530 0.91 SCN9A (0.55) SCN9A
SCHEMBL20063677 0.91 SCN9A (0.55) SCN9A
SCHEMBL20063739 0.90 SCN9A (0.55) SCN9A
SCHEMBL20063694 0.90 SCN9A (0.44) SCN9A

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed