SCHEMBL13685757

SCHEMBL13685757

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCOC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.33
▸ BACE1 P56817 1/20 0.31
▸ REN P00797 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
SCHEMBL13685691 1.00 ELANE (0.33) ELANEBACE1REN
SCHEMBL13685096 0.91 ELANE (0.33) ELANEBACE1
SCHEMBL13685202 0.91 ELANE (0.33) ELANEBACE1
SCHEMBL13685129 0.90 BACE1 (0.36) ELANEBACE1REN
SCHEMBL13685011 0.90 BACE1 (0.36) ELANEBACE1REN
SCHEMBL13686171 0.90 BACE1 (0.36) ELANEBACE1REN
SCHEMBL13685736 0.90 ELANE (0.33) ELANEBACE1REN
SCHEMBL13685780 0.90 REN (0.35) ELANEBACE1REN
SCHEMBL13685731 0.90 ELANE (0.33) ELANEBACE1REN
SCHEMBL13685772 0.90 REN (0.35) ELANEBACE1REN

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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