SCHEMBL30700074

SCHEMBL30700074

O=C(N1CC[C@H](c2nnc[nH]2)C1)N1CC2(CC(Cc3cncc(F)c3)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.33
▸ ADORA2B P29275 7/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ABHD6 Q9BV23 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ SMYD3 Q9H7B4 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
SCHEMBL30700221 0.86 MGLL (0.39) MGLL
SCHEMBL30700238 0.85 ADRA2C (0.35) MGLLHSD11B1
SCHEMBL30700215 0.84 GPBAR1 (0.37) MGLL
SCHEMBL30700095 0.83 MGLL (0.37) MGLL
SCHEMBL30700475 0.81 MGLL (0.38) MGLLADORA2A
SCHEMBL25326481 0.80 MGLL (0.39) MGLLADORA2BADORA2AABHD6SMYD3
SCHEMBL30553145 0.80 MGLL (0.39) MGLLADORA2BADORA2AABHD6SMYD3
SCHEMBL30700327 0.77 GPR119 (0.34) MGLL
SCHEMBL30700551 0.77 JAK2 (0.33) MGLL
SCHEMBL30700328 0.77 MGLL (0.36) MGLLADORA2BADORA2AABHD6

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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