SCHEMBL30700357

SCHEMBL30700357

O=C(N1CC[C@H](c2ncn[nH]2)C1)N1CC2(CC(Cc3cc(C(F)(F)F)ccn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.41
▸ PIM1 P11309 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ MAP3K12 Q12852 9/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ DLK1 P80370 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
SCHEMBL25323631 0.91 MGLL (0.42) MGLLPIM1BTKFFAR4HCRTR1
SCHEMBL30700373 0.87 MGLL (0.43) MGLLPIM1HCRTR1
SCHEMBL30700423 0.87 MGLL (0.44) MGLLPIM1BTK
SCHEMBL30700516 0.85 MGLL (0.44) MGLLPIM1MAP3K12
SCHEMBL30700859 0.84 MGLL (0.40) MGLLPIM1BTKFFAR4
SCHEMBL30700098 0.84 MGLL (0.42) MGLLPIM1
SCHEMBL30700274 0.84 MGLL (0.41) MGLLPIM1
SCHEMBL30700358 0.84 MGLL (0.41) MGLLPIM1
SCHEMBL30700591 0.84 MGLL (0.40) MGLLPIM1BTKMAP3K12
SCHEMBL30700187 0.83 MGLL (0.43) 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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