SCHEMBL29828542

SCHEMBL29828542

COCC[C@@H](C(=O)OC)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.41
▸ REN P00797 1/20 0.33
▸ MMP13 P45452 1/20 0.31

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
SCHEMBL27033019 1.00 AAK1 (0.41) AAK1RENMMP13
SCHEMBL27032866 0.89 AAK1 (0.40) AAK1RENMMP13
SCHEMBL27032815 0.89 AAK1 (0.42) AAK1RENMMP13
SCHEMBL27130846 0.89 AAK1 (0.40) AAK1RENMMP13
SCHEMBL29097004 0.89 AAK1 (0.42) AAK1RENMMP13
SCHEMBL29828824 0.89 AAK1 (0.42) AAK1RENMMP13
SCHEMBL30916053 0.87 AAK1 (0.41) AAK1RENMMP13
SCHEMBL30916086 0.86 AAK1 (0.40) AAK1RENMMP13
SCHEMBL23005858 0.84 AAK1 (0.49) AAK1RENMMP13
SCHEMBL24093716 0.84 AAK1 (0.49) AAK1RENMMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO disclosed
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