SCHEMBL30700527

SCHEMBL30700527

O=C(N1CC[C@H](c2nnc[nH]2)C1)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.37
▸ RBP4 P02753 7/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ CACNA1B Q00975 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ RORC P51449 4/20 0.32
▸ PKM P14618 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
SCHEMBL30699985 1.00 EPHX2 (0.43) EPHX2TRPV4RBP4MEN1KMT2A
SCHEMBL30700181 0.84 EPHX2 (0.43) EPHX2TRPV4RBP4MEN1KMT2A
SCHEMBL30700457 0.83 GPR183 (0.46) RBP4
SCHEMBL25323578 0.80 EPHX2 (0.42) EPHX2TRPV4RBP4MEN1KMT2A
SCHEMBL30700308 0.78 EPHX2 (0.42) EPHX2TRPV4RBP4MEN1KMT2A
SCHEMBL30700189 0.78 EPHX2 (0.42) EPHX2TRPV4RBP4MEN1KMT2A
SCHEMBL32685335 0.77 MGLL (0.51) —
SCHEMBL23850535 0.77 MGLL (0.51) —
SCHEMBL30700020 0.76 MGLL (0.33) RORC
SCHEMBL30700774 0.74 AKR1C3 (0.42) MEN1KMT2A

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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