SCHEMBL30699875

SCHEMBL30699875

O=C(N1CCC2(CC1)CC(Oc1ccc(F)cc1Cl)C2)N1CC[C@@H](c2ncn[nH]2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.42
▸ OXTR P30559 2/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL30700691 1.00 MGLL (0.42) MGLLOXTRAVPR1AGAACCNT1
SCHEMBL30699995 0.84 MGLL (0.38) MGLL
SCHEMBL30699913 0.78 MGLL (0.41) MGLLOXTRAVPR1AGAACCNT1
SCHEMBL24095477 0.78 MGLL (0.56) MGLL
SCHEMBL30700320 0.78 MGLL (0.40) MGLLOXTRAVPR1AGAA
SCHEMBL30700429 0.76 LIPE (0.35) —
SCHEMBL30700211 0.76 MGLL (0.40) MGLLOXTRAVPR1AGAACCNT1
SCHEMBL27288289 0.76 HSD11B1 (0.42) MGLLOXTRAVPR1AGAACCNT1
SCHEMBL30700576 0.71 MGLL (0.41) MGLLOXTRAVPR1A
SCHEMBL30700887 0.71 MGLL (0.40) MGLLGRIN2B

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 3 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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
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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