SCHEMBL30700158

SCHEMBL30700158

NC(=O)[C@H]1CCN(C(=O)N2CC(OCc3cncc(C(F)(F)F)c3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 2/20 0.46
▸ LPL P06858 1/20 0.46
▸ LIPC P11150 1/20 0.46
▸ MGLL Q99685 3/20 0.42
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP11B2 P19099 5/20 0.39
▸ FAAH O00519 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ TACR1 P25103 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL30700492 0.80 MGLL (0.44) MGLLGAATDP1FAAHKDM4E
SCHEMBL25918910 0.80 LIPG (0.42) LIPGLPLLIPCMGLLCYP11B2
SCHEMBL30700053 0.79 MGLL (0.40) LIPGLPLLIPCMGLLCYP11B2
SCHEMBL30700465 0.78 MGLL (0.47) LIPGLPLLIPCMGLLGAA
SCHEMBL30700801 0.78 MGLL (0.47) LIPGLPLLIPCMGLLGAA
SCHEMBL27288877 0.78 MGLL (0.47) LIPGLPLLIPCMGLLGAA
SCHEMBL30700770 0.75 MGLL (0.42) MGLLGAATDP1FAAHKDM4E
SCHEMBL30700711 0.74 MGLL (0.42) MGLLTDP1FAAH
SCHEMBL25325591 0.73 LPL (0.38) LIPGLPLLIPCMGLLFAAH
SCHEMBL30553215 0.73 LPL (0.38) LIPGLPLLIPCMGLLFAAH

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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