SCHEMBL30700336

SCHEMBL30700336

O=C(N1CC[C@H](n2cnnc2)C1)N1CC2(CCC(Oc3ccc(C(F)(F)F)cc3F)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ GPR6 P46095 2/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ EPHX2 P34913 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
SCHEMBL30699891 0.83 GAA (0.43) ENPP2ATXN2GPR6FFAR4LMNA
SCHEMBL30700102 0.83 GAA (0.43) ENPP2ATXN2GPR6FFAR4LMNA
SCHEMBL30700261 0.81 ENPP2 (0.35) ENPP2ATXN2GPR6FFAR4MGLL
SCHEMBL30700414 0.81 ENPP2 (0.35) ENPP2ATXN2GPR6FFAR4MGLL
SCHEMBL30700195 0.81 ENPP2 (0.35) ENPP2ATXN2GPR6FFAR4MGLL
SCHEMBL30700595 0.77 GPR119 (0.37) GPR119LIPE
SCHEMBL30700077 0.76 MGLL (0.38) ENPP2ATXN2ALDH1A1PKMUSP2
SCHEMBL30700507 0.76 MGLL (0.44) ENPP2ATXN2MGLL
SCHEMBL30700153 0.76 MGLL (0.44) ENPP2ATXN2MGLL
SCHEMBL30700727 0.75 GPR119 (0.50) ENPP2ATXN2GPR6FFAR4GPR119

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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