SCHEMBL30700181

SCHEMBL30700181

O=C(N1CC[C@H](c2cnn[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 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ RBP4 P02753 6/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SPR P35270 1/20 0.35
▸ RORC P51449 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ PRCP P42785 1/20 0.32

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
SCHEMBL30700527 0.84 EPHX2 (0.43) EPHX2RBP4TRPV4SPRRORC
SCHEMBL30699985 0.84 EPHX2 (0.43) EPHX2RBP4TRPV4SPRRORC
SCHEMBL30700931 0.83 GPR183 (0.46) RBP4
SCHEMBL30700660 0.79 AKR1C3 (0.40) PKMMEN1KMT2AMAPT
SCHEMBL30700189 0.78 EPHX2 (0.42) EPHX2RBP4TRPV4SPRMEN1
SCHEMBL30700308 0.78 EPHX2 (0.42) EPHX2RBP4TRPV4SPRMEN1
SCHEMBL23850535 0.77 MGLL (0.51) —
SCHEMBL32685335 0.77 MGLL (0.51) —
SCHEMBL30700121 0.77 JAK2 (0.34) —
SCHEMBL25323578 0.76 EPHX2 (0.42) EPHX2RBP4TRPV4SPRPKM

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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