SCHEMBL285746

SCHEMBL285746

CCCCCc1noc(C)c1COc1ccc(C(=O)OC)cn1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.62

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
SCHEMBL108484 0.97 GABRA5 (0.63) GABRA5
SCHEMBL285702 0.93 GABRA5 (0.66) GABRA5
SCHEMBL103674 0.86 GABRA5 (0.60) GABRA5
SCHEMBL535818 0.84 GABRA5 (0.51) GABRA5
SCHEMBL285894 0.84 GABRA5 (0.62) GABRA5
SCHEMBL285878 0.84 GABRA5 (0.67) GABRA5
SCHEMBL107842 0.83 GABRA5 (0.52) GABRA5
SCHEMBL285941 0.82 GABRA5 (0.66) GABRA5
SCHEMBL109555 0.81 GABRA5 (0.47) GABRA5
SCHEMBL285864 0.81 GABRA5 (0.67) 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-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed