SCHEMBL13685442

SCHEMBL13685442

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCOC[C@H](N)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 2/20 0.32
▸ PSMB9 P28065 2/20 0.31
▸ PSMB8 P28062 1/20 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
SCHEMBL8290345 0.91 — —
SCHEMBL12608386 0.91 — —
SCHEMBL8291430 0.91 — —
SCHEMBL8289630 0.89 PPIA (0.31) PPIAPSMB9PSMB8
SCHEMBL8291490 0.89 PPIA (0.31) PPIAPSMB9PSMB8
SCHEMBL12855918 0.87 — —
SCHEMBL13685725 0.85 — —
SCHEMBL13685625 0.85 CTSD (0.35) PPIA
SCHEMBL8289637 0.85 CTSD (0.35) PPIA
SCHEMBL12607937 0.84 ADAM17 (0.36) —

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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