SCHEMBL18091978

SCHEMBL18091978

Cc1onc(-c2ccc(F)cn2)c1CCc1ncc(OC(=O)NCC(F)(F)F)s1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.57
GABRA1 P14867 2/20 0.38

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
SCHEMBL18092072 0.90 GABRA5 (0.54) GABRA5
SCHEMBL18092000 0.89 GABRA5 (0.56) GABRA5GABRA1
SCHEMBL18092053 0.88 GABRA5 (0.49) GABRA5
SCHEMBL18092026 0.88 GABRA5 (0.57) GABRA5
SCHEMBL18092056 0.87 GABRA5 (0.55) GABRA5GABRA1
SCHEMBL18092066 0.87 GABRA5 (0.46) GABRA5GABRA1
SCHEMBL286193 0.86 GABRA5 (0.61) GABRA5GABRA1
SCHEMBL18091985 0.86 GABRA5 (0.48) GABRA5
SCHEMBL18091986 0.85 GABRA5 (0.47) GABRA5
SCHEMBL18092028 0.82 GABRA5 (0.48) 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