SCHEMBL30700116

SCHEMBL30700116

CS(=O)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC[C@H](c4ncn[nH]4)C2)C3)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ RORC P51449 1/20 0.31
▸ GPR119 Q8TDV5 5/20 0.31
▸ SLC9A1 P19634 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ RBP4 P02753 1/20 0.30

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
SCHEMBL30699852 0.94 MGLL (0.42) MGLLRORCSLC9A1GPBAR1RBP4
SCHEMBL25326309 0.92 MGLL (0.43) MGLLPTGDR2GPR119
SCHEMBL30553203 0.86 MGLL (0.43) MGLLGPR119
SCHEMBL25325643 0.86 MGLL (0.43) MGLLGPR119
SCHEMBL30700524 0.86 MGLL (0.41) MGLL
SCHEMBL30700591 0.85 MGLL (0.40) MGLL
SCHEMBL30700467 0.85 GPBAR1 (0.40) MGLLGPR119GPBAR1
SCHEMBL30700062 0.84 MGLL (0.41) MGLL
SCHEMBL30700150 0.84 MGLL (0.35) MGLLPIK3CDPIK3CAGPBAR1
SCHEMBL30700869 0.82 MGLL (0.37) MGLLPTGDR2GPR119GPBAR1

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 4 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
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