SCHEMBL30553250

SCHEMBL30553250

O=C(N1CC(c2ccc(C3(C(F)(F)F)CC3)nc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.43
▸ PDE2A O00408 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
SCHEMBL25325239 1.00 MGLL (0.43) MGLLPDE2A
SCHEMBL25323304 0.90 MGLL (0.39) MGLL
SCHEMBL30553247 0.90 MGLL (0.39) MGLL
SCHEMBL25323385 0.89 MGLL (0.41) MGLLPDE2A
SCHEMBL25325837 0.87 MGLL (0.40) MGLLPDE2A
SCHEMBL30553202 0.87 MGLL (0.40) MGLLPDE2A
SCHEMBL25321679 0.87 MGLL (0.42) MGLLPDE2A
SCHEMBL30553235 0.86 MGLL (0.41) MGLL
SCHEMBL25325990 0.86 MGLL (0.41) MGLL
SCHEMBL25325790 0.85 MGLL (0.34) 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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