SCHEMBL30700294

SCHEMBL30700294

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ MAPT P10636 2/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ GRIN2B Q13224 3/20 0.34
▸ CCR4 P51679 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ NPBWR1 P48145 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL30700887 0.93 MGLL (0.40) MGLLMAPTPAK1GRIN2BCCR4
SCHEMBL30700022 0.89 MGLL (0.43) MGLLCYP11B1CYP11B2
SCHEMBL30700218 0.89 MGLL (0.43) MGLLCYP11B1CYP11B2
SCHEMBL30700423 0.83 MGLL (0.44) MGLLPAK1
SCHEMBL30700714 0.83 MGLL (0.43) MGLL
SCHEMBL30700869 0.82 MGLL (0.37) MGLLPAK1CYP11B1CYP11B2
SCHEMBL30700148 0.80 MGLL (0.37) MGLLCYP11B1CYP11B2
SCHEMBL30699919 0.79 MGLL (0.40) MGLL
SCHEMBL30700096 0.79 MGLL (0.39) MGLLMAPTGRIN2BCCR4KMT2A
SCHEMBL25324465 0.79 MGLL (0.39) MGLLCYP11B1CYP11B2

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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