SCHEMBL30553215

SCHEMBL30553215

O=C(N1CC(OCc2cncc(C(F)(F)F)c2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ MGLL Q99685 12/20 0.35
▸ FAAH O00519 2/20 0.34
▸ ENPP2 Q13822 2/20 0.32
▸ ATXN2 Q99700 2/20 0.32
▸ ADORA2B P29275 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.31
▸ GLS O94925 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
SCHEMBL25325591 1.00 LPL (0.38) LPLLIPCLIPGMGLLFAAH
SCHEMBL25918910 0.89 LIPG (0.42) LPLLIPCLIPGMGLLFAAH
SCHEMBL30553208 0.85 MGLL (0.42) MGLLENPP2ATXN2ADORA2BGLS
SCHEMBL25324678 0.85 MGLL (0.42) MGLLENPP2ATXN2ADORA2BGLS
SCHEMBL30553286 0.83 ENPP2 (0.37) MGLLFAAHENPP2
SCHEMBL25325767 0.83 ENPP2 (0.37) MGLLFAAHENPP2
SCHEMBL25324545 0.82 ENPP2 (0.41) LPLLIPCLIPGMGLLFAAH
SCHEMBL30012148 0.81 MGLL (0.53) LPLLIPCLIPGMGLLFAAH
SCHEMBL27153936 0.81 MGLL (0.53) LPLLIPCLIPGMGLLFAAH
SCHEMBL25326458 0.81 ENPP2 (0.42) MGLLENPP2ATXN2

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-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed
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