SCHEMBL30700504

SCHEMBL30700504

NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(Cc4cnc(C(F)(F)F)cn4)C3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.40
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NOD2 Q9HC29 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ DHFR P00374 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL30699932 0.91 LMNA (0.34) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700534 0.87 MGLL (0.39) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700479 0.85 MGLL (0.38) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700434 0.83 MGLL (0.40) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700104 0.83 KDM4E (0.42) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700019 0.82 MGLL (0.38) MGLLGAATDP1PDK2SMN1; SMN2
SCHEMBL30699862 0.81 MGLL (0.38) MGLLLMNAKDM4EGAAKMT2A
SCHEMBL30700216 0.81 EPHX2 (0.38) MGLLABL1
SCHEMBL30700552 0.81 MGLL (0.37) MGLLLMNAKDM4EABL1GAA
SCHEMBL30700103 0.81 PREP (0.35) 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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