SCHEMBL287532

SCHEMBL287532

Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)OCC(N)=O)nc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.52

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
SCHEMBL287853 0.90 GABRA5 (0.62) GABRA5
SCHEMBL288559 0.89 GABRA5 (0.54) GABRA5
SCHEMBL287894 0.86 GABRA5 (0.56) GABRA5
SCHEMBL1779475 0.84 GABRA1 (0.61) GABRA5
SCHEMBL288240 0.81 GABRA5 (0.66) GABRA5
SCHEMBL286529 0.80 GABRA5 (0.54) GABRA5
SCHEMBL286248 0.80 GABRA5 (0.51) GABRA5
SCHEMBL289101 0.80 GABRA5 (0.54) GABRA5
SCHEMBL287531 0.80 GABRA5 (0.68) GABRA5
SCHEMBL288241 0.79 GABRA5 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed