SCHEMBL30699861

SCHEMBL30699861

O=C(N1CC(c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(OC(F)(F)F)cn3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ EPHX2 P34913 9/20 0.34
▸ KIT P10721 2/20 0.34
▸ ENPP2 Q13822 2/20 0.33
▸ ATXN2 Q99700 2/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ AKR1C3 P42330 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
SCHEMBL25324067 0.95 MGLL (0.41) MGLLEPHX2KITENPP2ATXN2
SCHEMBL30700080 0.93 MGLL (0.40) MGLLEPHX2KIT
SCHEMBL25325570 0.81 MGLL (0.41) MGLLEPHX2KITENPP2ATXN2
SCHEMBL25325375 0.81 MGLL (0.44) MGLLEPHX2
SCHEMBL30700373 0.80 MGLL (0.43) MGLLEPHX2
SCHEMBL31549771 0.80 MGLL (0.37) MGLLEPHX2ENPP2ATXN2
SCHEMBL25327554 0.78 MGLL (0.39) MGLLKIT
SCHEMBL30553269 0.78 MGLL (0.39) MGLLKIT
SCHEMBL25325303 0.78 MGLL (0.37) MGLLEPHX2KITENPP2ATXN2
SCHEMBL30700050 0.78 MGLL (0.41) MGLLENPP2ATXN2

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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