SCHEMBL27288199

SCHEMBL27288199

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(c2ccn[nH]2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.46
▸ FAAH O00519 1/20 0.38
▸ LIPG Q9Y5X9 2/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ ENPP2 Q13822 3/20 0.37
▸ ATXN2 Q99700 3/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PRKAA2 P54646 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
SCHEMBL30700285 1.00 MGLL (0.46) MGLLFAAHLIPGLPLLIPC
SCHEMBL27288286 0.96 MGLL (0.42) MGLLFAAHLIPGLPLLIPC
SCHEMBL30700242 0.96 MGLL (0.42) MGLLFAAHLIPGLPLLIPC
SCHEMBL27292302 0.94 MGLL (0.41) MGLLFAAHLIPGLPLLIPC
SCHEMBL30700309 0.94 MGLL (0.41) MGLLFAAHLIPGLPLLIPC
SCHEMBL30700001 0.87 MGLL (0.44) MGLLFAAHLIPGLPLLIPC
SCHEMBL27292383 0.87 MGLL (0.44) MGLLFAAHLIPGLPLLIPC
SCHEMBL30700343 0.87 MGLL (0.44) MGLLFAAHLIPGLPLLIPC
SCHEMBL30700543 0.87 MGLL (0.44) MGLLFAAHLIPGLPLLIPC
SCHEMBL27290140 0.87 MGLL (0.44) MGLLFAAHLIPGLPLLIPC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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