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SCHEMBL13685751

SCHEMBL13685751

CC(C)(C)OC(=O)N[C@H]1CCCCCCCC(F)(F)CC[C@@H](C(=O)C(N)=O)NC(=O)[C@@H]2C3C(CN2C1=O)C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL16349821 0.95 GAA (0.31) F2F10PRSS1GAABACE1
SCHEMBL7858719 0.92 F2 (0.34) F2F10PRSS1GAABACE1
SCHEMBL8290298 0.92 F2 (0.34) F2F10PRSS1GAABACE1
SCHEMBL8048356 0.92 F2 (0.34) F2F10PRSS1GAABACE1
SCHEMBL13685318 0.92 F2 (0.34) F2F10PRSS1GAABACE1
SCHEMBL13685052 0.92 F2 (0.34) F2F10PRSS1GAABACE1
SCHEMBL12606765 0.91 — —
SCHEMBL12608016 0.88 — —
SCHEMBL12608096 0.88 — —
SCHEMBL12608010 0.88 GAA (0.31) GAA

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 1 patent. 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
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