SCHEMBL30700280

SCHEMBL30700280

CS(=O)(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC[C@H](c4ncn[nH]4)C2)C3)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.37
▸ RORC P51449 1/20 0.34
▸ GPR119 Q8TDV5 8/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ NAMPT P43490 1/20 0.31

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
SCHEMBL30700467 0.90 GPBAR1 (0.40) MGLLGPR119GPBAR1EPHX2NAMPT
SCHEMBL30700398 0.90 MGLL (0.41) MGLLCYP11B1CYP11B2NAMPT
SCHEMBL30700150 0.85 MGLL (0.35) MGLLGPBAR1
SCHEMBL30700239 0.84 GPBAR1 (0.38) MGLLGPR119GPBAR1NAMPT
SCHEMBL30700373 0.84 MGLL (0.43) MGLLEPHX2
SCHEMBL30700191 0.83 CA2 (0.40) MGLLJAK2JAK1TYK2JAK3
SCHEMBL30700187 0.83 MGLL (0.43) MGLL
SCHEMBL30700765 0.82 NAMPT (0.37) MGLLNAMPT
SCHEMBL30700274 0.82 MGLL (0.41) MGLLCYP11B1CYP11B2
SCHEMBL30700080 0.82 MGLL (0.40) MGLLEPHX2

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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