SCHEMBL30700668

SCHEMBL30700668

O=C(N1CC[C@H](c2nnc[nH]2)C1)N1CC2(CC(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.36
▸ RORC P51449 9/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ F2R P25116 1/20 0.30
▸ SCD5 Q86SK9 1/20 0.30

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
SCHEMBL30700390 0.88 GPBAR1 (0.36) MGLLRORC
SCHEMBL30700095 0.82 MGLL (0.37) MGLL
SCHEMBL30700221 0.81 MGLL (0.39) MGLL
SCHEMBL25327992 0.80 MGLL (0.42) MGLLRORCLMNAMAPK1HTT
SCHEMBL25324952 0.80 MGLL (0.42) MGLLRORCLMNAMAPK1HTT
SCHEMBL30700437 0.78 MGLL (0.40) MGLLRORCLMNAMAPK1HTT
SCHEMBL30700835 0.77 CACNA1B (0.38) MGLL
SCHEMBL30700254 0.77 NAMPT (0.35) MGLLHTTSMN1; SMN2
SCHEMBL30700475 0.76 MGLL (0.38) MGLLPREP
SCHEMBL30700327 0.74 GPR119 (0.34) MGLLDPP4

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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