SCHEMBL30700335

SCHEMBL30700335

O=C(N1CCC(OCc2ccc(C(F)(F)F)cc2F)CC1)N1CC[C@H](c2ncn[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.44
▸ LIPG Q9Y5X9 5/20 0.39
▸ LPL P06858 4/20 0.39
▸ LIPC P11150 4/20 0.39
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ LIPE Q05469 1/20 0.36

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
SCHEMBL30700009 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL30700174 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL27289691 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL30700176 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL30700147 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL27289695 0.95 MGLL (0.46) MGLLLIPGLPLLIPCENPP2
SCHEMBL30699959 0.88 ENPP2 (0.39) MGLLENPP2ATXN2FAAH
SCHEMBL30700152 0.86 MGLL (0.43) MGLLLIPGLPLLIPCPIM1
SCHEMBL27290308 0.86 MGLL (0.43) MGLLLIPGLPLLIPCPIM1
SCHEMBL27290848 0.86 MGLL (0.47) MGLLPIM1FAAHLIPE

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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