SCHEMBL30699868

SCHEMBL30699868

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CC(Nc3ccc(C(F)(F)F)cc3F)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.34
▸ F2R P25116 2/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAP3K12 Q12852 4/20 0.33
▸ BTK Q06187 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL30700223 0.87 MGLL (0.39) MGLLF2RCYP11B1CYP11B2
SCHEMBL30700204 0.87 MGLL (0.39) MGLLF2RCYP11B1CYP11B2
SCHEMBL30700414 0.82 ENPP2 (0.35) MGLLPROKR1BTKCYP11B1CYP11B2
SCHEMBL30700261 0.82 ENPP2 (0.35) MGLLPROKR1BTKCYP11B1CYP11B2
SCHEMBL30700195 0.82 ENPP2 (0.35) MGLLPROKR1BTKCYP11B1CYP11B2
SCHEMBL30700444 0.81 MGLL (0.41) MGLLTSHRCYP11B1CYP11B2
SCHEMBL31308016 0.80 ENPP2 (0.41) MGLLTSHR
SCHEMBL31307999 0.80 ENPP2 (0.41) MGLLTSHR
SCHEMBL30700573 0.80 ENPP2 (0.41) MGLLTSHR
SCHEMBL30700117 0.79 DPP4 (0.40) MAP3K12

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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