SCHEMBL8291707

SCHEMBL8291707

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCOC[C@H](NC(=O)N[C@H](CN2C(=O)CC(C)(C)CC2=O)C(C)(C)C)C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)N1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 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
SCHEMBL8291709 0.92 — —
SCHEMBL13685112 0.91 CPB2 (0.30) CPB2
SCHEMBL8291708 0.89 PSMB9 (0.32) CPB2
SCHEMBL8291706 0.85 CPB2 (0.30) CPB2
SCHEMBL12607198 0.85 — —
SCHEMBL12606772 0.84 CPB2 (0.30) CPB2
SCHEMBL13685598 0.83 — —
SCHEMBL12607434 0.83 — —
SCHEMBL8036262 0.83 — —
SCHEMBL8290534 0.83 — —

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-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO disclosed
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