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SCHEMBL13685733

SCHEMBL13685733

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](N)C(=O)N2C[C@@H]3OC(C)(C)C[C@@H]3[C@H]2C(=O)N1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.33
▸ ATM Q13315 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL16349768 0.96 LNPEP (0.33) ELANE
SCHEMBL8289402 0.87 BACE1 (0.35) ELANE
SCHEMBL13685117 0.87 BACE1 (0.35) ELANE
SCHEMBL8291188 0.87 BACE1 (0.35) ELANE
SCHEMBL12607836 0.87 BACE1 (0.35) ELANE
SCHEMBL8290318 0.86 LNPEP (0.32) ATMMEN1KMT2A
SCHEMBL13684966 0.84 CYP3A4 (0.36) —
SCHEMBL13685079 0.84 CYP3A4 (0.36) —
SCHEMBL13685116 0.84 CYP3A4 (0.36) —
SCHEMBL13685750 0.83 BACE1 (0.32) ELANE

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
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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