SCHEMBL30700696

SCHEMBL30700696

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(N2CCOC2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.44
▸ VNN1 O95497 1/20 0.38
▸ LIPG Q9Y5X9 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ ATXN2 Q99700 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPC P11150 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
SCHEMBL30700026 0.84 MGLL (0.44) MGLLLIPGIDO1ENPP2ATXN2
SCHEMBL30700507 0.83 MGLL (0.44) MGLLLIPGIDO1ENPP2ATXN2
SCHEMBL30700153 0.83 MGLL (0.44) MGLLLIPGIDO1ENPP2ATXN2
SCHEMBL30700090 0.80 MGLL (0.41) MGLLLIPGIDO1ENPP2ATXN2
SCHEMBL27290142 0.80 MGLL (0.41) MGLLLIPGIDO1ENPP2ATXN2
SCHEMBL30699955 0.79 MGLL (0.41) MGLLLIPGENPP2ATXN2LPL
SCHEMBL30699984 0.79 MGLL (0.41) MGLLLIPGUSP2PKMENPP2
SCHEMBL30700493 0.79 MGLL (0.41) MGLLLIPGPKMENPP2ATXN2
SCHEMBL27292384 0.79 MGLL (0.41) MGLLLIPGENPP2ATXN2LPL
SCHEMBL30700801 0.79 MGLL (0.47) MGLLLIPGIDO1ENPP2ATXN2

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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