SCHEMBL30700455

SCHEMBL30700455

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(c2nnn[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.44
▸ FAAH O00519 1/20 0.38
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ LIPG Q9Y5X9 3/20 0.35
▸ LPL P06858 2/20 0.35
▸ LIPC P11150 2/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL30700147 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700301 0.86 MGLL (0.44) MGLLFAAHENPP2ATXN2LIPG
SCHEMBL27289695 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700174 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700009 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700176 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL27289691 0.86 MGLL (0.46) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30699982 0.85 MGLL (0.44) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700343 0.85 MGLL (0.44) MGLLFAAHENPP2ATXN2PIK3CA
SCHEMBL30700543 0.85 MGLL (0.44) MGLLFAAHENPP2ATXN2PIK3CA

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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