SCHEMBL21390552

SCHEMBL21390552

O=C1CO[C@H]2CCN(C(=O)N3CCC(C(c4ccc(F)cc4)c4nc(C(F)(F)F)no4)CC3)CC2N1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.58

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
SCHEMBL23211803 1.00 MGLL (0.58) MGLL
SCHEMBL30149607 0.88 MGLL (0.59) MGLL
SCHEMBL21390374 0.88 MGLL (0.59) MGLL
SCHEMBL23212025 0.88 MGLL (0.59) MGLL
SCHEMBL21390332 0.86 MGLL (0.76) MGLL
SCHEMBL23176599 0.86 MGLL (0.76) MGLL
SCHEMBL23150515 0.86 MGLL (0.76) MGLL
SCHEMBL23150516 0.86 MGLL (0.76) MGLL
SCHEMBL21390475 0.86 MGLL (0.76) MGLL
SCHEMBL23211695 0.82 MGLL (0.83) MGLL

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-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 WO disclosed