SCHEMBL8056985

SCHEMBL8056985

CCC(C)NC(=O)C(=O)[C@@H]1CCCCCCC(F)(F)CC[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 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 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
SCHEMBL12608096 0.89 — —
SCHEMBL12606765 0.87 — —
SCHEMBL12608016 0.87 — —
SCHEMBL12608010 0.86 GAA (0.31) —
SCHEMBL16349821 0.86 GAA (0.31) BACE1
SCHEMBL13685751 0.85 F2 (0.32) BACE1
SCHEMBL13685100 0.83 F2 (0.33) BACE1
SCHEMBL8290545 0.82 CTSD (0.33) BACE1
SCHEMBL12856082 0.82 CTSD (0.33) BACE1
SCHEMBL8290536 0.82 GAA (0.33) 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 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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