SCHEMBL30699953

SCHEMBL30699953

CN(C)C(=O)C1CCN(C(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.45
▸ MCHR1 Q99705 3/20 0.40
▸ PDK2 Q15119 4/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ ATXN2 Q99700 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
SCHEMBL30700465 0.88 MGLL (0.47) MGLLLIPGENPP2ATXN2
SCHEMBL30700801 0.88 MGLL (0.47) MGLLLIPGENPP2ATXN2
SCHEMBL27288877 0.88 MGLL (0.47) MGLLLIPGENPP2ATXN2
SCHEMBL30699866 0.87 MGLL (0.45) MGLLMCHR1PDK2NOTUMLIPG
SCHEMBL30700318 0.82 MGLL (0.45) MGLLLIPGENPP2ATXN2
SCHEMBL30700026 0.81 MGLL (0.44) MGLLLIPGENPP2ATXN2
SCHEMBL30700507 0.80 MGLL (0.44) MGLLCYP11B1CYP11B2LIPGENPP2
SCHEMBL30700153 0.80 MGLL (0.44) MGLLCYP11B1CYP11B2LIPGENPP2
SCHEMBL30700038 0.80 MGLL (0.44) MGLLLIPGENPP2ATXN2
SCHEMBL30700493 0.79 MGLL (0.41) MGLLLIPGENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 — — EP claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
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