SCHEMBL2962679

SCHEMBL2962679

Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCC[N]C2)cn1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.84

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
SCHEMBL2928964 0.91 GABRA5 (1.00) GABRA5
SCHEMBL2929585 0.91 GABRA5 (1.00) GABRA5
SCHEMBL2928797 0.91 GABRA5 (1.00) GABRA5
SCHEMBL2925823 0.90 GABRA5 (1.00) GABRA5
SCHEMBL2928005 0.86 GABRA5 (1.00) GABRA5
SCHEMBL2930024 0.85 GABRA5 (1.00) GABRA5
SCHEMBL2929774 0.85 GABRA5 (1.00) GABRA5
SCHEMBL2930188 0.84 GABRA5 (1.00) GABRA5
SCHEMBL4162095 0.83 GABRA5 (1.00) GABRA5
SCHEMBL2928896 0.83 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