SCHEMBL30700423

SCHEMBL30700423

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.44
▸ PIM1 P11309 1/20 0.38
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ PIK3CA P42336 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 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
SCHEMBL30700218 0.93 MGLL (0.43) MGLLPIM1ENPP2ATXN2PIK3CA
SCHEMBL30700887 0.90 MGLL (0.40) MGLLPAK1
SCHEMBL30700591 0.88 MGLL (0.40) MGLLPIM1PAK1BTK
SCHEMBL30700714 0.87 MGLL (0.43) MGLL
SCHEMBL30700358 0.87 MGLL (0.41) MGLLPIM1PAK1
SCHEMBL30700357 0.87 MGLL (0.41) MGLLPIM1BTK
SCHEMBL30700373 0.86 MGLL (0.43) MGLLPIM1PAK1
SCHEMBL30700859 0.85 MGLL (0.40) MGLLPIM1ENPP2ATXN2PAK1
SCHEMBL30700516 0.84 MGLL (0.44) MGLLPIM1PAK1
SCHEMBL30700290 0.83 MGLL (0.62) MGLLPIM1PDE2ABTK

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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