SCHEMBL30700437

SCHEMBL30700437

O=C(N1CC(OCc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1)N1CC[C@H](c2nnc[nH]2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ FAAH O00519 1/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.34
▸ PTPRZ1 P23471 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ PREP P48147 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL30700192 0.88 FAAH (0.36) MGLLFAAHGPR119RORC
SCHEMBL30700127 0.86 MGLL (0.42) MGLLFAAHJAK2JAK1PIK3CD
SCHEMBL30700368 0.81 MGLL (0.40) MGLLFAAHPIK3CDPIK3R1
SCHEMBL30700110 0.81 ENPP2 (0.39) MGLLJAK2JAK1PIK3CDPIK3R1
SCHEMBL30700053 0.79 MGLL (0.40) MGLLFAAHPIK3CDLIPG
SCHEMBL30700401 0.79 GPR119 (0.40) MGLLFAAHGPR119
SCHEMBL30700668 0.78 MGLL (0.36) MGLLLMNAMAPK1HTTSMN1; SMN2
SCHEMBL30700770 0.78 MGLL (0.42) MGLLFAAHTEAD1SCN3APTPRZ1
SCHEMBL30700301 0.77 MGLL (0.44) MGLLFAAHJAK2JAK1LIPG
SCHEMBL25324021 0.76 MGLL (0.38) MGLLFAAHTEAD1SCN3APTPRZ1

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 2 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
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