SCHEMBL30553306

SCHEMBL30553306

CS(=O)(=O)c1cncc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CC6)[nH]5)C4)C2)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.37
▸ GPBAR1 Q8TDU6 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
SCHEMBL25325192 1.00 MGLL (0.37) MGLLGPBAR1
SCHEMBL25326033 0.87 MGLL (0.37) MGLL
SCHEMBL25326672 0.87 CCR5 (0.38) MGLLGPBAR1
SCHEMBL25325560 0.86 MGLL (0.38) MGLLGPBAR1
SCHEMBL30553145 0.85 MGLL (0.39) MGLL
SCHEMBL30553182 0.85 MGLL (0.39) MGLL
SCHEMBL25326481 0.85 MGLL (0.39) MGLL
SCHEMBL25326182 0.85 MGLL (0.39) MGLL
SCHEMBL25324987 0.84 OPRM1 (0.35) MGLL
SCHEMBL25328128 0.83 GPBAR1 (0.37) MGLLGPBAR1

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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