SCHEMBL30700417

SCHEMBL30700417

O=C(N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CC[C@H](c2ncn[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ DPP4 P27487 3/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ DPP7 Q9UHL4 3/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL30700162 0.90 TGFBR1 (0.44) MGLLALDH1A1AKR1C3LMNAPOLB
SCHEMBL30700144 0.87 MGLL (0.49) MGLLALDH1A1LMNAPKM
SCHEMBL30700706 0.85 PSEN1 (0.41) MGLLALDH1A1AKR1C3LMNAPOLB
SCHEMBL30700856 0.82 MEN1 (0.43) AKR1C3LMNAEPHX2DPP4SCN9A
SCHEMBL30700719 0.79 TSHR (0.47) ALDH1A1AKR1C3L3MBTL1TDP1GAA
SCHEMBL25301386 0.77 MGLL (0.57) MGLLALDH1A1LMNAPOLBEPHX2
SCHEMBL30700193 0.77 PSEN1 (0.43) AKR1C3LMNADPP4KCNH2DPP7
SCHEMBL25326454 0.76 MGLL (0.43) MGLLALDH1A1LMNAPOLBEPHX2
SCHEMBL30699920 0.75 HTR1A (0.44) EPHX2GAA
SCHEMBL30699959 0.74 ENPP2 (0.39) MGLLEPHX2

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 3 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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
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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