SCHEMBL2098505

SCHEMBL2098505

Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC[C@@H](O)C(F)(F)F)n(C)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 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
SCHEMBL2099131 1.00 GABRA5 (0.60) GABRA5
SCHEMBL285879 1.00 GABRA5 (0.60) GABRA5
SCHEMBL286046 0.88 GABRA5 (0.70) GABRA5
SCHEMBL2628064 0.86 GABRA5 (0.60) GABRA5
SCHEMBL285690 0.86 GABRA5 (0.60) GABRA5
SCHEMBL286444 0.85 GABRA5 (0.60) GABRA5
SCHEMBL291878 0.85 GABRA5 (0.56) GABRA5
SCHEMBL286292 0.85 GABRA5 (0.54) GABRA5
SCHEMBL286291 0.85 GABRA5 (0.68) GABRA5
SCHEMBL286345 0.84 GABRA5 (0.56) GABRA5

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
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed