SCHEMBL8048356

SCHEMBL8048356

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PLG P00747 1/20 0.32
▸ BACE1 P56817 3/20 0.31

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
SCHEMBL8290298 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL13685052 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL7858719 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL13685318 1.00 F2 (0.34) F2F10PRSS1GAAPLG
SCHEMBL16315715 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL16349581 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL16349734 0.94 GAA (0.35) F2F10PRSS1GAAPLG
SCHEMBL13685751 0.92 F2 (0.32) F2F10PRSS1GAABACE1
SCHEMBL8290536 0.90 GAA (0.33) F2F10PRSS1GAAPLG
SCHEMBL13685100 0.88 F2 (0.33) F2F10PRSS1GAAPLG

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
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 — — WO disclosed
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