SCHEMBL30700367

SCHEMBL30700367

NC(=O)[C@H]1CCN(C(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(F)cc2F)C3)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EPHX2 P34913 5/20 0.40
▸ SPR P35270 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ DPP4 P27487 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ DPP7 Q9UHL4 3/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL31308002 0.81 EPHX2 (0.42) SMN1; SMN2EPHX2ALDH1A1
SCHEMBL30700057 0.79 KMT2A (0.47) SMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL30700324 0.76 CNR1 (0.54) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL25326196 0.74 AKR1C3 (0.39) SPRALDH1A1DPP4KCNH2DPP7
SCHEMBL30700035 0.74 ALDH1A1 (0.46) SMN1; SMN2EPHX2ALDH1A1DPP4AKR1C3
SCHEMBL30700133 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1DPP4DPP7DPP8
SCHEMBL30700494 0.73 SMN1; SMN2 (0.46) SMN1; SMN2EPHX2ALDH1A1
SCHEMBL30490220 0.71 MGLL (0.49) —
SCHEMBL23853110 0.71 MGLL (0.49) —
SCHEMBL27154637 0.71 MGLL (0.50) SPRALDH1A1DPP4KCNH2DPP7

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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