SCHEMBL535889

SCHEMBL535889

O=C1SCCN(C(=O)c2ccc(OCc3c(-c4ccc(Cl)cc4)noc3CO)nc2)C1=O

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
SCHEMBL535936 0.89 GABRA5 (0.72) GABRA5
SCHEMBL535810 0.81 GABRA5 (0.41) GABRA5
SCHEMBL535888 0.80 GABRA5 (0.67) GABRA5
SCHEMBL535838 0.80 GABRA5 (0.62) GABRA5
SCHEMBL535755 0.80 GABRA5 (0.76) GABRA5
SCHEMBL536348 0.77 GABRA5 (0.78) GABRA5
SCHEMBL2926911 0.76 GABRA5 (0.70) GABRA5
SCHEMBL536246 0.75 GABRA5 (0.79) GABRA5
SCHEMBL536319 0.75 GABRA5 (0.79) GABRA5
SCHEMBL536300 0.74 GABRA5 (0.79) 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