SCHEMBL30553286

SCHEMBL30553286

O=C(N1CC(OCc2ccc(C(F)(F)F)nc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.37
▸ MGLL Q99685 9/20 0.37
▸ FAAH O00519 1/20 0.35
▸ PREP P48147 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 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
SCHEMBL25325767 1.00 ENPP2 (0.37) ENPP2MGLLFAAHPREPPIK3CD
SCHEMBL25324021 0.86 MGLL (0.38) ENPP2MGLLFAAH
SCHEMBL30553187 0.85 MGLL (0.44) ENPP2MGLLPREP
SCHEMBL25324758 0.85 MGLL (0.44) ENPP2MGLLPREP
SCHEMBL25326458 0.84 ENPP2 (0.42) ENPP2MGLL
SCHEMBL25324941 0.83 GPR119 (0.36) ENPP2FAAH
SCHEMBL30553215 0.83 LPL (0.38) ENPP2MGLLFAAH
SCHEMBL25325591 0.83 LPL (0.38) ENPP2MGLLFAAH
SCHEMBL25324702 0.82 MGLL (0.39) ENPP2MGLLPREP
SCHEMBL25325530 0.82 PPARD (0.42) MGLLPREP

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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