SCHEMBL8289593

SCHEMBL8289593

C=CCNC(=O)C(=O)[C@@H]1CCCCCCCOC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)CC)C(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 8/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ TERF2 Q15554 10/20 0.35
▸ PPIA P62937 2/20 0.33

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
SCHEMBL8291706 0.88 CPB2 (0.30) —
SCHEMBL12606660 0.87 — —
SCHEMBL8289306 0.87 — —
SCHEMBL12856032 0.81 PPIA (0.38) PSMB9PSMB8TERF2PPIA
SCHEMBL8289305 0.78 — —
SCHEMBL8052409 0.77 CPB2 (0.31) —
SCHEMBL13685594 0.77 CPB2 (0.31) —
SCHEMBL12607432 0.76 — —
SCHEMBL12607100 0.74 — —
SCHEMBL13685071 0.74 — —

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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