SCHEMBL30700903

SCHEMBL30700903

O=C(N1CC[C@H](n2cnnn2)C1)N1CC2(CC(Cc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.40
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL30700283 0.90 MGLL (0.37) MGLLGPR119
SCHEMBL30700677 0.87 MGLL (0.40) MGLL
SCHEMBL30699918 0.81 MGLL (0.41) MGLLIDO1ALDH1A1LMNAPKM
SCHEMBL30700088 0.81 MGLL (0.41) MGLLIDO1ALDH1A1LMNAPKM
SCHEMBL30700054 0.81 MGLL (0.40) MGLLIDO1
SCHEMBL30700165 0.80 MCHR1 (0.41) MGLLGPR119FAAH
SCHEMBL30700087 0.79 MGLL (0.43) MGLLENPP2IDO1GPR119
SCHEMBL30699870 0.79 MGLL (0.43) MGLLENPP2IDO1GPR119
SCHEMBL30700049 0.79 MGLL (0.37) MGLL
SCHEMBL30700071 0.79 MGLL (0.37) MGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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