SCHEMBL30553247

SCHEMBL30553247

O=C(N1CC(c2ccc(C3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(c3nnc(C4(O)CC4)[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.39

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
SCHEMBL25323304 1.00 MGLL (0.39) MGLL
SCHEMBL25325239 0.90 MGLL (0.43) MGLL
SCHEMBL30553250 0.90 MGLL (0.43) MGLL
SCHEMBL25325039 0.88 MGLL (0.40) MGLL
SCHEMBL30553172 0.86 MGLL (0.31) MGLL
SCHEMBL25326366 0.86 MGLL (0.31) MGLL
SCHEMBL30553183 0.83 GRM1 (0.33) MGLL
SCHEMBL25326208 0.83 GRM1 (0.33) MGLL
SCHEMBL25324500 0.83 MGLL (0.31) MGLL
SCHEMBL30553157 0.83 MGLL (0.31) 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 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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