SCHEMBL30700226

SCHEMBL30700226

NC(=O)c1ccc(CC2CC3(C2)CN(C(=O)N2CC[C@H](c4ncn[nH]4)C2)C3)cc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.35
▸ NTRK1 P04629 7/20 0.35
▸ KCNH2 Q12809 6/20 0.35
▸ NTRK3 Q16288 2/20 0.35
▸ NTRK2 Q16620 2/20 0.35
▸ PLK1 P53350 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ BTK Q06187 2/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ ATXN2 Q99700 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
SCHEMBL30700113 0.94 MGLL (0.37) MGLLNTRK1KCNH2NTRK3NTRK2
SCHEMBL30700383 0.91 MGLL (0.35) MGLL
SCHEMBL30699951 0.87 MBOAT4 (0.37) MGLL
SCHEMBL30700050 0.84 MGLL (0.41) MGLLENPP2ATXN2
SCHEMBL30700080 0.80 MGLL (0.40) MGLL
SCHEMBL30700427 0.80 MGLL (0.42) MGLLENPP2
SCHEMBL25327430 0.80 MGLL (0.40) MGLLNTRK1KCNH2NTRK3NTRK2
SCHEMBL30700524 0.79 MGLL (0.41) MGLL
SCHEMBL30700348 0.79 MGLL (0.44) MGLL
SCHEMBL30700812 0.78 MGLL (0.36) MGLL

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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