SCHEMBL13685573

SCHEMBL13685573

CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CC[Si](C)(C)C)CCCCCCC[C@@H](C=O)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 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
SCHEMBL13685708 0.90 — —
SCHEMBL13685650 0.90 — —
SCHEMBL13685576 0.89 BACE1 (0.33) BACE1
SCHEMBL13685665 0.87 — —
SCHEMBL13685662 0.87 BACE1 (0.30) BACE1
SCHEMBL8291134 0.84 GAA (0.36) BACE1
SCHEMBL13685159 0.84 GAA (0.36) BACE1
SCHEMBL13684892 0.84 GAA (0.36) BACE1
SCHEMBL12607811 0.84 GAA (0.36) BACE1
SCHEMBL16349771 0.84 GAA (0.36) 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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