SCHEMBL30700543

SCHEMBL30700543

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CC[C@H](c2cnn[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.44
▸ ENPP2 Q13822 3/20 0.38
▸ ATXN2 Q99700 3/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ LIPG Q9Y5X9 4/20 0.36
▸ LPL P06858 3/20 0.36
▸ LIPC P11150 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ FAAH O00519 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
SCHEMBL27292383 1.00 MGLL (0.44) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL30700343 1.00 MGLL (0.44) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL27290138 1.00 MGLL (0.44) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL30700001 1.00 MGLL (0.44) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL27290140 1.00 MGLL (0.44) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL30700403 0.99 MGLL (0.43) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL30700135 0.91 MGLL (0.51) MGLLFAAH
SCHEMBL30700081 0.89 ENPP2 (0.41) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL30700285 0.87 MGLL (0.46) MGLLENPP2ATXN2PIK3CAPRKAA2
SCHEMBL27288199 0.87 MGLL (0.46) MGLLENPP2ATXN2PIK3CAPRKAA2

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
Send feedback