SCHEMBL285954

SCHEMBL285954

CCCCc1noc(C)c1COc1ccc(C(=O)NC(C)C)cn1.C[Al](C)C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.64
GABRA1 P14867 2/20 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
SCHEMBL285878 0.97 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL286025 0.91 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285561 0.90 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285612 0.90 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285611 0.90 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285864 0.89 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285855 0.88 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL286077 0.86 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL535819 0.86 GABRA5 (0.55) GABRA5GABRA1
SCHEMBL107842 0.85 GABRA5 (0.52) GABRA5GABRA1

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