SCHEMBL30700120

SCHEMBL30700120

O=C(N1CC[C@H](c2cnn[nH]2)C1)N1CC2(CN(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GPR6 P46095 4/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE9A O76083 2/20 0.35

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
SCHEMBL30700931 0.90 GPR183 (0.46) —
SCHEMBL30700361 0.87 MGLL (0.38) CCR4GRIN2BMEN1KMT2A
SCHEMBL30700181 0.76 EPHX2 (0.43) MAPTMEN1KMT2A
SCHEMBL30700211 0.75 MGLL (0.40) GAA
SCHEMBL25325519 0.75 MAPT (0.39) ALDH1A1TDP1KDM4ESMN1; SMN2GPR6
SCHEMBL25326091 0.74 ALDH1A1 (0.39) ALDH1A1TDP1KDM4ESMN1; SMN2GPR6
SCHEMBL30700096 0.74 MGLL (0.39) CCR4MAPTGRIN2BMEN1KMT2A
SCHEMBL27291239 0.73 MGLL (0.41) MAPT
SCHEMBL30700457 0.73 GPR183 (0.46) MAPT
SCHEMBL30700444 0.73 MGLL (0.41) MAPTJAK2JAK1TYK2JAK3

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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