SCHEMBL3167387

SCHEMBL3167387

CCn1cc(NC(=O)c2ccc(OCc3c(-c4ccc(Cl)cc4)noc3C)nc2)cn1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.82

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
SCHEMBL2958663 0.90 GABRA5 (1.00) GABRA5
SCHEMBL2964807 0.81 GABRA5 (1.00) GABRA5
SCHEMBL535822 0.81 GABRA5 (1.00) GABRA5
SCHEMBL536100 0.80 GABRA5 (0.82) GABRA5
SCHEMBL2924213 0.80 GABRA5 (1.00) GABRA5
SCHEMBL2924430 0.79 GABRA5 (1.00) GABRA5
SCHEMBL2925648 0.79 GABRA5 (1.00) GABRA5
SCHEMBL2929222 0.78 GABRA5 (1.00) GABRA5
SCHEMBL2925596 0.78 GABRA5 (1.00) GABRA5
SCHEMBL2924233 0.78 GABRA5 (1.00) 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-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed