SCHEMBL535858

SCHEMBL535858

CC(C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2CO)nc1.C[Al](C)C

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.75

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
SCHEMBL535748 0.97 GABRA5 (0.79) GABRA5
SCHEMBL536319 0.88 GABRA5 (0.79) GABRA5
SCHEMBL535911 0.88 GABRA5 (0.79) GABRA5
SCHEMBL2685974 0.85 GABRA5 (1.00) GABRA5
SCHEMBL535843 0.85 GABRA5 (0.80) GABRA5
SCHEMBL535787 0.84 GABRA5 (0.77) GABRA5
SCHEMBL536242 0.84 GABRA5 (0.79) GABRA5
SCHEMBL535928 0.84 GABRA5 (0.80) GABRA5
SCHEMBL2928437 0.82 GABRA5 (1.00) GABRA5
SCHEMBL535873 0.80 GABRA5 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed