SCHEMBL20095902

SCHEMBL20095902

C/N=C/C1CC[C@H](C(F)(F)F)C[C@@H]1N(C)CCO

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33

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
SCHEMBL20095834 0.81
SCHEMBL20095835 0.81
SCHEMBL20063776 0.76 SCN9A (0.35) SCN9A
SCHEMBL20073031 0.76 SCN9A (0.35) SCN9A
SCHEMBL20095774 0.75 SLC18A3 (0.32)
SCHEMBL20063465 0.71 SCN9A (0.42) SCN9A
SCHEMBL20095615 0.67 CACNA1C (0.32)
SCHEMBL20096038 0.63
SCHEMBL20095513 0.62
SCHEMBL20095827 0.60

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