SCHEMBL27290142

SCHEMBL27290142

O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(n2ccnc2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ LIPG Q9Y5X9 4/20 0.38
▸ LPL P06858 3/20 0.38
▸ LIPC P11150 3/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 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
SCHEMBL30700090 1.00 MGLL (0.41) MGLLSCN9ALIPGLPLLIPC
SCHEMBL30700153 0.89 MGLL (0.44) MGLLLIPGLPLLIPCIDO1
SCHEMBL30700507 0.89 MGLL (0.44) MGLLLIPGLPLLIPCIDO1
SCHEMBL30700026 0.88 MGLL (0.44) MGLLLIPGLPLLIPCIDO1
SCHEMBL30699955 0.85 MGLL (0.41) MGLLSCN9ALIPGLPLLIPC
SCHEMBL30700493 0.85 MGLL (0.41) MGLLLIPGLPLLIPCFAAH
SCHEMBL27292384 0.85 MGLL (0.41) MGLLSCN9ALIPGLPLLIPC
SCHEMBL30699984 0.85 MGLL (0.41) MGLLLIPGLPLLIPCFAAH
SCHEMBL30700696 0.80 MGLL (0.44) MGLLLIPGLPLLIPCIDO1
SCHEMBL30700465 0.80 MGLL (0.47) MGLLLIPGLPLLIPCIDO1

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
Send feedback