SCHEMBL8289687

SCHEMBL8289687

CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCCCC(=O)N2CCC[C@H]2C(=O)N1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 12/20 0.45
▸ PSMB8 P28062 5/20 0.42
▸ PSMB5 P28074 1/20 0.40
▸ ELANE P08246 3/20 0.38
▸ TERF2 Q15554 4/20 0.37

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
SCHEMBL8289686 0.85 ELANE (0.39) PSMB9PSMB8PSMB5ELANE
SCHEMBL13685619 0.84 TERF2 (0.40) ELANETERF2
SCHEMBL13685680 0.83 TERF2 (0.43) TERF2
SCHEMBL12607839 0.81 TERF2 (0.36) PSMB9PSMB8PSMB5ELANETERF2
SCHEMBL13685770 0.76 ELANE (0.33) ELANE
SCHEMBL13685755 0.76 ELANE (0.33) ELANE
SCHEMBL13685696 0.76 ELANE (0.37) ELANETERF2
SCHEMBL13685695 0.76 TERF2 (0.41) ELANETERF2
SCHEMBL12856044 0.74 CYP3A4 (0.36) ELANE
SCHEMBL13685733 0.73 ELANE (0.33) ELANE

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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