SCHEMBL18091997

SCHEMBL18091997

Cc1nc(CCc2c(-c3ccc(F)cn3)noc2C)sc1OC(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.46
GABRA1 P14867 1/20 0.37

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
SCHEMBL18092022 0.91 GABRA5 (0.47) GABRA5GABRA1
SCHEMBL18092030 0.89 GABRA5 (0.52) GABRA5
SCHEMBL18092009 0.87 GABRA5 (0.53) GABRA5GABRA1
SCHEMBL18091985 0.87 GABRA5 (0.48) GABRA5
SCHEMBL285762 0.87 GABRA5 (0.50) GABRA5GABRA1
SCHEMBL18092056 0.87 GABRA5 (0.55) GABRA5GABRA1
SCHEMBL18091973 0.87 GABRA5 (0.44) GABRA5
SCHEMBL18091969 0.86 GABRA5 (0.51) GABRA5
SCHEMBL18092027 0.85 GABRA5 (0.44) GABRA5GABRA1
SCHEMBL18092049 0.84 GABRA5 (0.47) GABRA5GABRA1

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