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SCHEMBL13685135

SCHEMBL13685135

C=CCNC(=O)C(OC(C)=O)[C@@H]1CCCCCCCCC[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 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.35
▸ CTSD P07339 2/20 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
SCHEMBL8290694 0.93 CTSD (0.38) BACE1CTSD
SCHEMBL13685392 0.91 ADAM17 (0.34) BACE1
SCHEMBL8050873 0.91 BACE1 (0.38) BACE1CTSD
SCHEMBL8291324 0.91 BACE1 (0.38) BACE1CTSD
SCHEMBL8051655 0.90 BACE1 (0.36) BACE1CTSD
SCHEMBL13685074 0.90 BACE1 (0.36) BACE1CTSD
SCHEMBL8291384 0.89 BACE1 (0.30) BACE1CTSD
SCHEMBL13685662 0.88 BACE1 (0.30) BACE1
SCHEMBL13685068 0.85 BACE1 (0.34) BACE1
SCHEMBL12606619 0.84 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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