SCHEMBL30700218

SCHEMBL30700218

O=C(N1CC(c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.43
▸ PIM1 P11309 1/20 0.37
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ PDE2A O00408 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ RPS6KB1 P23443 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
SCHEMBL30700423 0.93 MGLL (0.44) MGLLPIM1ENPP2ATXN2PDE2A
SCHEMBL30700294 0.89 MGLL (0.40) MGLLCYP11B1CYP11B2
SCHEMBL30700022 0.86 MGLL (0.43) MGLLCYP11B1CYP11B2SLC6A4
SCHEMBL30699890 0.86 MGLL (0.41) MGLLPIM1
SCHEMBL30699919 0.83 MGLL (0.40) MGLLPIM1ENPP2ATXN2PDE2A
SCHEMBL30700887 0.83 MGLL (0.40) MGLL
SCHEMBL25323946 0.82 MGLL (0.42) MGLLPIM1CYP11B1CYP11B2PSEN1
SCHEMBL30700591 0.82 MGLL (0.40) MGLLPIM1BTK
SCHEMBL25324588 0.81 PSEN1 (0.36) MGLLPIM1ENPP2ATXN2PDE2A
SCHEMBL25325537 0.81 MGLL (0.42) MGLLPIM1CYP11B1CYP11B2PSEN1

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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