SCHEMBL29616710

SCHEMBL29616710

O=C1CN[C@@H]2CCN(C(=O)N3CC(OCc4ccc(C(F)(F)F)cc4F)C3)C[C@@H]2N1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.54
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL23152302 1.00 MGLL (0.54) MGLLENPP2ATXN2LIPG
SCHEMBL23177381 1.00 MGLL (0.54) MGLLENPP2ATXN2LIPG
SCHEMBL23210159 1.00 MGLL (0.54) MGLLENPP2ATXN2LIPG
SCHEMBL23152301 1.00 MGLL (0.54) MGLLENPP2ATXN2LIPG
SCHEMBL23152389 1.00 MGLL (0.54) MGLLENPP2ATXN2LIPG
SCHEMBL23210161 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23177311 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23152335 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL23210288 0.86 MGLL (0.54) MGLLENPP2ATXN2
SCHEMBL27288738 0.85 MGLL (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 — — CN claimed
EP-4034239-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 — — EP disclosed
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 — — CN disclosed
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