SCHEMBL3784902

SCHEMBL3784902

Cc1onc(-c2ccccc2)c1COc1ccon1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.70

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
SCHEMBL2929262 0.82 GABRA5 (1.00) GABRA5
SCHEMBL1777199 0.81 GABRA5 (0.70) GABRA5
SCHEMBL2673472 0.81 GABRA5 (0.70) GABRA5
SCHEMBL1777847 0.80 GABRA5 (0.69) GABRA5
SCHEMBL2929512 0.80 GABRA5 (1.00) GABRA5
SCHEMBL1777974 0.79 GABRA5 (0.74) GABRA5
SCHEMBL18885135 0.78 GABRA5 (0.65) GABRA5
SCHEMBL1777801 0.78 GABRA5 (0.70) GABRA5
SCHEMBL2930355 0.78 GABRA5 (0.66) GABRA5
SCHEMBL1776637 0.78 GABRA5 (0.65) 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-2398782-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed