SCHEMBL21590693

SCHEMBL21590693

Cc1ccc(-c2noc(C)c2Cn2ncc(N3CCC(C(=O)O)C3)cc2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.42

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
SCHEMBL23150855 1.00 GABRA1 (0.42) GABRA1
SCHEMBL23150862 1.00 GABRA1 (0.42) GABRA1
SCHEMBL21590948 0.95 GABRA1 (0.42) GABRA1
SCHEMBL21590790 0.90 GABRA1 (0.47) GABRA1
SCHEMBL30694889 0.90 GABRA1 (0.41) GABRA1
SCHEMBL21590863 0.90 GABRA1 (0.47) GABRA1
SCHEMBL21590869 0.90 GABRA1 (0.47) GABRA1
SCHEMBL30694894 0.90 GABRA1 (0.41) GABRA1
SCHEMBL21590698 0.89 GABRA1 (0.45) GABRA1
SCHEMBL21590751 0.89 GABRA1 (0.45) GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed