SCHEMBL285748

SCHEMBL285748

Cc1onc(C2CCCCC2)c1COc1ccc(C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.59

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
SCHEMBL285666 0.90 GABRA5 (0.61) GABRA5
SCHEMBL285739 0.88 GABRA5 (0.62) GABRA5
SCHEMBL285815 0.88 GABRA5 (0.69) GABRA5
SCHEMBL285929 0.87 GABRA5 (0.70) GABRA5
SCHEMBL285460 0.87 GABRA5 (0.70) GABRA5
SCHEMBL286266 0.85 GABRA5 (0.77) GABRA5
SCHEMBL285621 0.84 GABRA5 (0.77) GABRA5
SCHEMBL285713 0.84 GABRA5 (0.71) GABRA5
SCHEMBL285823 0.84 GABRA5 (0.65) GABRA5
SCHEMBL285498 0.81 GABRA5 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
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