SCHEMBL30700491

SCHEMBL30700491

NS(=O)(=O)C1CCN(C(=O)N2CC3(CC(Cc4ccc(C(F)(F)F)nc4)C3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.39
▸ NAMPT P43490 2/20 0.37
▸ PREP P48147 1/20 0.36
▸ GCK P35557 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ MOGAT2 Q3SYC2 1/20 0.33

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
SCHEMBL30700534 0.86 MGLL (0.39) MGLLNAMPTPREPUSP30ENPP2
SCHEMBL30699862 0.83 MGLL (0.38) MGLLNAMPT
SCHEMBL30700103 0.80 PREP (0.35) MGLLNAMPTPREPUSP30ENPP2
SCHEMBL30700087 0.80 MGLL (0.43) MGLLNAMPTPREPUSP30ENPP2
SCHEMBL30699870 0.80 MGLL (0.43) MGLLNAMPTPREPUSP30ENPP2
SCHEMBL30700427 0.80 MGLL (0.42) MGLLNAMPTPREPUSP30ENPP2
SCHEMBL31549735 0.80 MGLL (0.40) MGLLNAMPTPREPENPP2KIT
SCHEMBL27246270 0.80 MGLL (0.42) MGLLNAMPTENPP2
SCHEMBL30012263 0.80 MGLL (0.42) MGLLNAMPTENPP2
SCHEMBL30700475 0.79 MGLL (0.38) MGLLNAMPTPREPUSP30ENPP2

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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