SCHEMBL30700022

SCHEMBL30700022

O=C(N1CC(c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(F)cc3C(F)(F)F)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.43
▸ GPR183 P32249 3/20 0.35
▸ P2RX7 Q99572 6/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL30700714 0.93 MGLL (0.43) MGLLGPR183P2RX7SLC6A2SLC6A4
SCHEMBL30700294 0.89 MGLL (0.40) MGLLCYP11B1CYP11B2
SCHEMBL30700218 0.86 MGLL (0.43) MGLLSLC6A4CYP11B1CYP11B2
SCHEMBL30700887 0.83 MGLL (0.40) MGLL
SCHEMBL30699919 0.82 MGLL (0.40) MGLL
SCHEMBL25325924 0.80 MGLL (0.44) MGLLGPR183P2RX7SLC6A2SLC6A4
SCHEMBL30700423 0.80 MGLL (0.44) MGLL
SCHEMBL30699890 0.79 MGLL (0.41) MGLL
SCHEMBL30700869 0.79 MGLL (0.37) MGLLCYP11B1CYP11B2
SCHEMBL25325162 0.77 MGLL (0.38) MGLLGPR183P2RX7SLC6A2SLC6A4

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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