SCHEMBL30700148

SCHEMBL30700148

O=C(N1CC(c2ncn[nH]2)C1)N1CC2(CC(Cc3ncc(F)cc3Cl)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.37
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SPR P35270 1/20 0.31
▸ OPRL1 P41146 2/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL30553263 0.95 MGLL (0.38) MGLLCYP11B1CYP11B2OPRL1
SCHEMBL25327858 0.95 MGLL (0.38) MGLLCYP11B1CYP11B2OPRL1
SCHEMBL30553170 0.85 MGLL (0.39) MGLLCYP11B1CYP11B2SPR
SCHEMBL25324465 0.85 MGLL (0.39) MGLLCYP11B1CYP11B2SPR
SCHEMBL30699890 0.82 MGLL (0.41) MGLL
SCHEMBL25326308 0.81 MGLL (0.39) MGLLOPRL1
SCHEMBL30553281 0.81 MGLL (0.39) MGLLOPRL1
SCHEMBL30700294 0.80 MGLL (0.40) MGLLCYP11B1CYP11B2
SCHEMBL31549750 0.79 BACE1 (0.36) MGLLCYP11B1CYP11B2SPROPRL1
SCHEMBL30699919 0.78 MGLL (0.40) 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
Send feedback