SCHEMBL21590899

SCHEMBL21590899

Cc1ccc(-c2noc(C)c2Cn2ncc(N3CC[C@H](OC(C)(C)C)C3)cc2=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.40

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
SCHEMBL23150854 1.00 GABRA1 (0.40) GABRA1
SCHEMBL21590663 1.00 GABRA1 (0.40) GABRA1
SCHEMBL21590822 0.94 GABRA1 (0.42) GABRA1
SCHEMBL21590674 0.88 GABRA1 (0.45) GABRA1
SCHEMBL30694879 0.88 GABRA1 (0.45) GABRA1
SCHEMBL30694840 0.88 GABRA1 (0.46) GABRA1
SCHEMBL21590616 0.88 GABRA1 (0.46) GABRA1
SCHEMBL21590615 0.87 GABRA1 (0.36) GABRA1
SCHEMBL21590619 0.87 GABRA1 (0.36) GABRA1
SCHEMBL21590908 0.87 GABRA1 (0.42) 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