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SCHEMBL13685068

SCHEMBL13685068

COC(=O)CNC(=O)C(OC(C)=O)[C@@H]1CCCCC=CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.34

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
SCHEMBL13685074 0.95 BACE1 (0.36) BACE1
SCHEMBL8051655 0.87 BACE1 (0.36) BACE1
SCHEMBL13684988 0.86 BACE1 (0.31) BACE1
SCHEMBL13685135 0.85 BACE1 (0.35) BACE1
SCHEMBL13684911 0.82 BACE1 (0.33) BACE1
SCHEMBL13685133 0.82 BACE1 (0.35) BACE1
SCHEMBL12606591 0.82 BACE1 (0.35) BACE1
SCHEMBL13685160 0.82 BACE1 (0.35) BACE1
SCHEMBL13685200 0.82 BACE1 (0.35) BACE1
SCHEMBL12606619 0.82 BACE1 (0.35) BACE1

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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