SCHEMBL30700080

SCHEMBL30700080

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3ccc(OC(F)(F)F)cn3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.40
▸ EPHX2 P34913 9/20 0.36
▸ MAPK7 Q13164 2/20 0.35
▸ KIT P10721 2/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL30699861 0.93 MGLL (0.40) MGLLEPHX2KIT
SCHEMBL25324067 0.92 MGLL (0.41) MGLLEPHX2KIT
SCHEMBL30700373 0.88 MGLL (0.43) MGLLEPHX2
SCHEMBL30700050 0.85 MGLL (0.41) MGLLMAPK7
SCHEMBL30700398 0.85 MGLL (0.41) MGLL
SCHEMBL30700187 0.83 MGLL (0.43) MGLLEGLN1
SCHEMBL30700274 0.83 MGLL (0.41) MGLL
SCHEMBL30700280 0.82 MGLL (0.37) MGLLEPHX2
SCHEMBL30700216 0.81 EPHX2 (0.38) MGLLEPHX2
SCHEMBL30700516 0.81 MGLL (0.44) MGLL

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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