SCHEMBL18092011

SCHEMBL18092011

Cc1onc(-c2ccccc2)c1/C=C/c1ncc(OC(=O)NC2CCOCC2)s1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.49
ITGA5 P08648 3/20 0.41

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
SCHEMBL18092041 0.96 GABRA5 (0.51) GABRA5
SCHEMBL18091977 0.96 GABRA5 (0.51) GABRA5
SCHEMBL2750153 0.86 GABRA5 (0.52) GABRA5ITGA5
SCHEMBL18091993 0.85 GABRA5 (0.42) GABRA5ITGA5
SCHEMBL5538001 0.82 GABRA5 (0.54) GABRA5
SCHEMBL18092062 0.82 GABRA5 (0.45) GABRA5
SCHEMBL18091971 0.81 GABRA5 (0.47) GABRA5
SCHEMBL18092060 0.80 GABRA5 (0.47) GABRA5
SCHEMBL18091980 0.80 GABRA5 (0.63) GABRA5ITGA5
SCHEMBL18092021 0.79 GABRA5 (0.62) 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-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP claimed