SCHEMBL30700087

SCHEMBL30700087

O=C(N1CC[C@@H](n2cnnn2)C1)N1CC2(CC(Cc3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.43
▸ KCNH2 Q12809 3/20 0.40
▸ GPR119 Q8TDV5 3/20 0.40
▸ PREP P48147 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL30699870 1.00 MGLL (0.43) MGLLKCNH2GPR119PREPUSP30
SCHEMBL30700534 0.81 MGLL (0.39) MGLLKCNH2GPR119PREPUSP30
SCHEMBL30700328 0.80 MGLL (0.36) MGLLIDO1
SCHEMBL30700235 0.80 MGLL (0.36) MGLLIDO1
SCHEMBL30700491 0.80 MGLL (0.39) MGLLPREPUSP30NAMPTENPP2
SCHEMBL30700677 0.79 MGLL (0.40) MGLLEPHX2
SCHEMBL30700903 0.79 MGLL (0.40) MGLLGPR119IDO1ENPP2
SCHEMBL30700014 0.78 MGLL (0.37) MGLLIDO1
SCHEMBL30700071 0.78 MGLL (0.37) MGLL
SCHEMBL31549735 0.76 MGLL (0.40) MGLLPREPNAMPTENPP2HRH3

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
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