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Sugi Predict / Compounds / SCHEMBL8290718

SCHEMBL8290718

SCHEMBL8290718

C=CCNC(=O)C(O)[C@@H]1CCCCCCCO[C@@H](C)[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 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.33
▸ CTSD P07339 1/20 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
SCHEMBL8291384 0.91 BACE1 (0.30) BACE1CTSD
SCHEMBL8290717 0.89 — —
SCHEMBL12608408 0.89 BACE1 (0.32) BACE1CTSD
SCHEMBL8050873 0.88 BACE1 (0.38) BACE1CTSD
SCHEMBL8291324 0.88 BACE1 (0.38) BACE1CTSD
SCHEMBL8290344 0.88 CTSD (0.41) BACE1CTSD
SCHEMBL8050346 0.86 CAPN2 (0.31) BACE1
SCHEMBL12607138 0.83 NAAA (0.32) —
SCHEMBL13685396 0.82 ADAM17 (0.37) BACE1CTSD
SCHEMBL16349801 0.82 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 — — EP disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 — — WO disclosed
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