SCHEMBL30700534

SCHEMBL30700534

NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(Cc4ccc(C(F)(F)F)nc4)C3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.39
▸ PREP P48147 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ EPHX2 P34913 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
SCHEMBL30699862 0.95 MGLL (0.38) MGLLLMNAKDM4ENAMPTGAA
SCHEMBL30700103 0.94 PREP (0.35) MGLLPREPLMNAKDM4EABL1
SCHEMBL30700306 0.92 LMNA (0.36) MGLLPREPLMNAKDM4EABL1
SCHEMBL30700434 0.88 MGLL (0.40) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700504 0.87 MGLL (0.40) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700184 0.86 MGLL (0.37) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700491 0.86 MGLL (0.39) MGLLPREPNAMPTUSP30EPHX2
SCHEMBL30700479 0.85 MGLL (0.38) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700104 0.82 KDM4E (0.42) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700212 0.81 LIPE (0.45) MGLLLMNAKDM4EABL1GAA

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 4 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
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