SCHEMBL30700189

SCHEMBL30700189

O=C(N1CC[C@H](n2cnnn2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SPR P35270 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ RBP4 P02753 1/20 0.32
▸ HSD11B1 P28845 7/20 0.32
▸ AKR1C3 P42330 3/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ DPP4 P27487 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
SCHEMBL30700308 1.00 EPHX2 (0.42) EPHX2TRPV4SPRCACNA1BRBP4
SCHEMBL30700279 0.85 ERAP1 (0.36) CACNA1BMEN1KMT2A
SCHEMBL30700677 0.80 MGLL (0.40) EPHX2RBP4
SCHEMBL30700527 0.78 EPHX2 (0.43) EPHX2TRPV4SPRCACNA1BRBP4
SCHEMBL30700181 0.78 EPHX2 (0.43) EPHX2TRPV4SPRCACNA1BRBP4
SCHEMBL30699985 0.78 EPHX2 (0.43) EPHX2TRPV4SPRCACNA1BRBP4
SCHEMBL30700426 0.77 KMT2A (0.45) TRPV4HSD11B1AKR1C3MEN1KMT2A
SCHEMBL27154085 0.75 MGLL (0.55) EPHX2TRPV4SPRCACNA1BRBP4
SCHEMBL23850535 0.75 MGLL (0.51) —
SCHEMBL32685335 0.75 MGLL (0.51) —

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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