SCHEMBL30700211

SCHEMBL30700211

O=C(N1CC[C@@H](c2cnn[nH]2)C1)N1CC2(CC(Oc3ccc(F)cc3Cl)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.40
▸ OXTR P30559 2/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ GAA P10253 1/20 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
SCHEMBL30699913 0.87 MGLL (0.41) MGLLOXTRAVPR1ACCNT1CDK9
SCHEMBL30700320 0.83 MGLL (0.40) MGLLOXTRAVPR1AGAA
SCHEMBL30699829 0.80 MGLL (0.56) MGLLGAA
SCHEMBL30699988 0.80 MGLL (0.56) MGLLGAA
SCHEMBL30700576 0.80 MGLL (0.41) MGLLOXTRAVPR1A
SCHEMBL30700361 0.78 MGLL (0.38) MGLLCCNT1CDK9
SCHEMBL27288289 0.76 HSD11B1 (0.42) MGLLOXTRAVPR1ACCNT1CDK9
SCHEMBL25435614 0.76 MGLL (0.54) MGLL
SCHEMBL24095475 0.76 MGLL (0.54) MGLL
SCHEMBL23850256 0.76 MGLL (0.54) 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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