SCHEMBL18092012

SCHEMBL18092012

Cc1onc(-c2ccccc2)c1COc1ncc(OC(=O)NC(C)CO)s1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.61

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
SCHEMBL18091998 0.92 GABRA5 (0.60) GABRA5
SCHEMBL285885 0.86 GABRA5 (0.67) GABRA5
SCHEMBL18092017 0.85 GABRA5 (0.60) GABRA5
SCHEMBL18091979 0.84 GABRA5 (0.61) GABRA5
SCHEMBL15252544 0.81 GABRA5 (0.65) GABRA5
SCHEMBL15252383 0.81 GABRA5 (0.65) GABRA5
SCHEMBL15252348 0.81 GABRA5 (0.65) GABRA5
SCHEMBL286197 0.80 GABRA5 (0.65) GABRA5
SCHEMBL18091984 0.80 GABRA5 (0.48) GABRA5
SCHEMBL18091980 0.80 GABRA5 (0.63) 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 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