SCHEMBL535982

SCHEMBL535982

COC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2C=Cc2ccccc2)nc1.COC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2C=O)nc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.57

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
SCHEMBL535981 1.00 GABRA5 (0.57) GABRA5
SCHEMBL536293 0.97 GABRA5 (0.61) GABRA5
SCHEMBL536292 0.97 GABRA5 (0.61) GABRA5
SCHEMBL535920 0.92 GABRA5 (0.62) GABRA5
SCHEMBL535977 0.90 GABRA5 (0.68) GABRA5
SCHEMBL535976 0.90 GABRA5 (0.68) GABRA5
SCHEMBL535942 0.88 GABRA5 (0.72) GABRA5
SCHEMBL535943 0.88 GABRA5 (0.72) GABRA5
SCHEMBL535899 0.87 GABRA5 (0.75) GABRA5
SCHEMBL535900 0.87 GABRA5 (0.75) 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