SCHEMBL286255

SCHEMBL286255

CCCCc1noc(C)c1CN.CCCCc1noc(C)c1CNc1ccc(C(=O)OC)cn1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.59
HCAR3 P49019 1/20 0.39

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
SCHEMBL286422 0.95 GABRA5 (0.64) GABRA5HCAR3
SCHEMBL285717 0.85 HCAR3 (0.56) GABRA5HCAR3
SCHEMBL285474 0.83 GABRA5 (0.66) GABRA5
SCHEMBL285422 0.79 GABRA5 (0.55) GABRA5
SCHEMBL108484 0.78 GABRA5 (0.63) GABRA5
SCHEMBL285420 0.76 GABRA5 (0.69) GABRA5
SCHEMBL285746 0.75 GABRA5 (0.62) GABRA5
SCHEMBL2926167 0.74 GABRA5 (1.00) GABRA5
SCHEMBL195457 0.73 GABRA5 (0.41) GABRA5
SCHEMBL195458 0.73 GABRA5 (0.41) 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