SCHEMBL18091983

SCHEMBL18091983

CCCCc1noc(C)c1CCc1ncc(OC(=O)NC2CCOC2)s1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.41
GABRA1 P14867 9/20 0.40
ITGA5 P08648 3/20 0.36

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
SCHEMBL18092081 0.96 GABRA5 (0.40) GABRA5GABRA1ITGA5
SCHEMBL285448 0.87 GABRA5 (0.43) GABRA5GABRA1ITGA5
SCHEMBL18092034 0.85 GABRA5 (0.35) GABRA5GABRA1ITGA5
SCHEMBL18091964 0.82 L3MBTL1 (0.36) GABRA5GABRA1
SCHEMBL285753 0.81 GABRA5 (0.42) GABRA5GABRA1ITGA5
SCHEMBL18092065 0.81 GABRA5 (0.36) GABRA5GABRA1ITGA5
SCHEMBL15252329 0.80 GABRA5 (0.44) GABRA5GABRA1ITGA5
SCHEMBL285524 0.80 CHRM4 (0.41) GABRA5GABRA1ITGA5
SCHEMBL18092050 0.79 GABRA5 (0.35) GABRA5
SCHEMBL18091974 0.79 GABRA5 (0.35) 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