SCHEMBL30700887

SCHEMBL30700887

O=C(N1CCC(c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.40
▸ PAK1 Q13153 1/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CCR4 P51679 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ AKT2 P31751 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
SCHEMBL30700294 0.93 MGLL (0.40) MGLLPAK1GRIN2BMAPTCCR4
SCHEMBL30700714 0.90 MGLL (0.43) MGLL
SCHEMBL30700423 0.90 MGLL (0.44) MGLLPAK1
SCHEMBL30700869 0.89 MGLL (0.37) MGLLPAK1
SCHEMBL30700096 0.85 MGLL (0.39) MGLLGRIN2BMAPTCCR4HTR2A
SCHEMBL30700022 0.83 MGLL (0.43) MGLL
SCHEMBL30700218 0.83 MGLL (0.43) MGLL
SCHEMBL30700361 0.83 MGLL (0.38) MGLLGRIN2BCCR4HTR2AHTR2C
SCHEMBL30700859 0.81 MGLL (0.40) MGLLPAK1
SCHEMBL30700358 0.80 MGLL (0.41) MGLLPAK1GRIN2B

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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