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SCHEMBL13685202

SCHEMBL13685202

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.33
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL13685096 1.00 ELANE (0.33) ELANEBACE1
SCHEMBL13685129 0.92 BACE1 (0.36) ELANEBACE1
SCHEMBL13686171 0.92 BACE1 (0.36) ELANEBACE1
SCHEMBL13685011 0.92 BACE1 (0.36) ELANEBACE1
SCHEMBL13685691 0.91 ELANE (0.33) ELANEBACE1
SCHEMBL13685757 0.91 ELANE (0.33) ELANEBACE1
SCHEMBL16349593 0.91 BACE1 (0.36) ELANEBACE1
SCHEMBL8035823 0.91 BACE1 (0.36) ELANEBACE1
SCHEMBL16349773 0.91 BACE1 (0.36) ELANEBACE1
SCHEMBL13685020 0.91 BACE1 (0.36) ELANEBACE1

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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