SCHEMBL30700261

SCHEMBL30700261

O=C(N1CCC(c2nnc[nH]2)C1)N1CC2(CCC(Oc3ccc(C(F)(F)F)cc3F)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.35
▸ ATXN2 Q99700 3/20 0.35
▸ MGLL Q99685 6/20 0.34
▸ CHRNA7 P36544 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ PROKR1 Q8TCW9 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
SCHEMBL30700195 1.00 ENPP2 (0.35) ENPP2ATXN2MGLLCHRNA7RORC
SCHEMBL30700414 1.00 ENPP2 (0.35) ENPP2ATXN2MGLLCHRNA7RORC
SCHEMBL31308016 0.82 ENPP2 (0.41) ENPP2ATXN2MGLL
SCHEMBL31307999 0.82 ENPP2 (0.41) ENPP2ATXN2MGLL
SCHEMBL30700573 0.82 ENPP2 (0.41) ENPP2ATXN2MGLL
SCHEMBL30699868 0.82 MGLL (0.34) MGLLRORCBTKCYP11B1CYP11B2
SCHEMBL30699966 0.81 LOXL2 (0.33) ENPP2
SCHEMBL30700509 0.81 CHRM4 (0.34) MGLL
SCHEMBL30700336 0.81 ENPP2 (0.36) ENPP2ATXN2MGLLFFAR4GPR6
SCHEMBL30700444 0.81 MGLL (0.41) ENPP2ATXN2MGLLCYP11B1CYP11B2

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