SCHEMBL6204072

SCHEMBL6204072

C[C@@H]1CC[C@H](N(C(=O)[C@H](CC2CCCC2)NC(=O)c2ccccc2-n2cccn2)S(=O)(=O)c2ccccn2)C(=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.39
CTSL P07711 15/20 0.39
CTSS P25774 14/20 0.39
CAPN1 P07384 1/20 0.33
HCRTR1 O43613 2/20 0.33
USP30 Q70CQ3 1/20 0.33
CTSB P07858 1/20 0.32

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
SCHEMBL6214223 0.82 CTSK (0.56) CTSKCTSLCTSSUSP30
SCHEMBL6262177 0.80 CTSK (0.46) CTSKCTSLCTSSCTSB
SCHEMBL7015499 0.77 CTSK (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL6073055 0.73 CTSL (0.42) CTSKCTSLCTSSUSP30CTSB
SCHEMBL5983414 0.73 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6072616 0.72 CTSK (0.40) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7006137 0.72 CTSL (0.39) CTSKCTSLCTSSUSP30CTSB
SCHEMBL7010659 0.71 CTSK (0.34) CTSKCTSLCTSS
SCHEMBL6072667 0.71 CTSK (0.41) CTSKCTSLCTSSUSP30CTSB
SCHEMBL8339254 0.71 MAPK11 (0.49) CAPN1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed