SCHEMBL288120

SCHEMBL288120

Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)N[C@@H](C)C(F)(F)F)nc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.57
GABRA1 P14867 2/20 0.55
ITGA5 P08648 2/20 0.48

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
SCHEMBL7856894 1.00 GABRA5 (0.57) GABRA5GABRA1ITGA5
SCHEMBL288662 0.91 GABRA5 (0.68) GABRA5GABRA1ITGA5
SCHEMBL287943 0.86 GABRA5 (0.71) GABRA5GABRA1ITGA5
SCHEMBL286631 0.85 GABRA5 (0.54) GABRA5GABRA1ITGA5
SCHEMBL289211 0.85 GABRA5 (0.57) GABRA5GABRA1ITGA5
SCHEMBL298861 0.84 GABRA5 (0.55) GABRA5GABRA1ITGA5
SCHEMBL288080 0.84 GABRA5 (0.55) GABRA5GABRA1ITGA5
SCHEMBL288771 0.84 GABRA5 (0.55) GABRA5GABRA1ITGA5
SCHEMBL287977 0.83 GABRA5 (0.55) GABRA5GABRA1ITGA5
SCHEMBL288200 0.82 GABRA5 (0.66) GABRA5ITGA5

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