SCHEMBL6680862

SCHEMBL6680862

CC(C)CC(CN(C(=O)OC(C)(C)C)c1ccc2ccccc2c1)C(=O)N(C(=O)Cc1cccc(-c2ccccn2)c1)[C@H]1CCCNCC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 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
SCHEMBL6606704 0.89 CTSK (0.33) CTSKCTSLCTSBCTSS
SCHEMBL6609854 0.78 CTSK (0.33) CTSKCTSLCTSBCTSS
SCHEMBL5139517 0.78 CTSK (0.54) CTSKCTSLCTSBCTSS
SCHEMBL5139259 0.75 CTSK (0.54) CTSKCTSLCTSBCTSS
SCHEMBL6589591 0.72 CTSK (0.34) CTSKCTSLCTSBCTSSHCRTR1
SCHEMBL4765103 0.71 HCRTR1 (0.34) CTSKCTSLCTSBCTSSHCRTR1
SCHEMBL4766735 0.70 CTSK (0.38) CTSKCTSLCTSBCTSS
SCHEMBL6605289 0.66 SLC6A2 (0.34) CTSKCTSLCTSBCTSS
SCHEMBL4765235 0.62 HCRTR1 (0.34) CTSKCTSLCTSBCTSSHCRTR1
SCHEMBL4765041 0.61 CTSK (0.43) CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed