SCHEMBL30700104

SCHEMBL30700104

NC(=O)[C@H]1CCN(C(=O)N2CC3(CC(Cc4ncc(C(F)(F)F)cn4)C3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MGLL Q99685 6/20 0.40
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SCN9A Q15858 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ HSD11B1 P28845 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LIPE Q05469 1/20 0.32

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
SCHEMBL30700356 0.86 LMNA (0.39) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700434 0.84 MGLL (0.40) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700504 0.83 MGLL (0.40) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700534 0.82 MGLL (0.39) KDM4EABL1LMNAMGLLGAA
SCHEMBL30699945 0.82 MGLL (0.45) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700517 0.80 KDM4E (0.47) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700516 0.80 MGLL (0.44) MGLL
SCHEMBL30700479 0.80 MGLL (0.38) KDM4EABL1LMNAMGLLGAA
SCHEMBL30699880 0.79 MGLL (0.40) KDM4EABL1LMNAMGLLGAA
SCHEMBL30700019 0.79 MGLL (0.38) MGLLGAATDP1PDK2L3MBTL1

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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