SCHEMBL30865483

SCHEMBL30865483

O=C(N1CC2(CC(n3cnc(C(F)(F)F)n3)C2)C1)N1CC2(CN(Cc3cnn(CC(F)(F)F)c3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.45
▸ BTK Q06187 6/20 0.32
▸ TEC P42680 1/20 0.31
▸ TXK P42681 1/20 0.31
▸ BMX P51813 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TBK1 Q9UHD2 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
SCHEMBL30865287 0.88 MGLL (0.59) MGLLBTKTBK1
SCHEMBL30865435 0.88 MGLL (0.43) MGLLBTKUSP2CYP2D6
SCHEMBL30865402 0.86 MGLL (0.42) MGLLUSP2CYP2D6
SCHEMBL30865192 0.84 MGLL (0.44) MGLL
SCHEMBL30865248 0.84 MGLL (0.43) MGLL
SCHEMBL30865384 0.83 MGLL (0.44) MGLLBTK
SCHEMBL30865234 0.83 MGLL (0.44) MGLLBTK
SCHEMBL30865345 0.81 MGLL (0.46) MGLL
SCHEMBL30865152 0.81 MGLL (0.49) MGLL
SCHEMBL30865245 0.81 MGLL (0.45) MGLLBTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608823-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2025-09-03 — — EP claimed
WO-2024088922-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2024-05-02 — — WO claimed
EP-4608823-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2025-09-03 — — EP disclosed
WO-2024088922-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2024-05-02 — — WO disclosed
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