SCHEMBL13784228

SCHEMBL13784228

CCCN1CC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccsc2)CC[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.46
CTSL P07711 14/20 0.46
CTSK P43235 11/20 0.46
CTSB P07858 1/20 0.40
CTSV O60911 2/20 0.37
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL13784227 0.82 CTSK (0.67) CTSSCTSLCTSK
SCHEMBL6842086 0.80 CTSK (0.74) CTSSCTSLCTSKCTSBCTSV
SCHEMBL13784229 0.79 CTSK (0.55) CTSSCTSLCTSKCTSBCTSV
SCHEMBL4314512 0.76 CTSK (0.38) CTSSCTSLCTSK
SCHEMBL7148228 0.73 CTSK (0.51) CTSSCTSLCTSKCTSBCTSV
SCHEMBL7015060 0.73 CTSK (0.57) CTSSCTSLCTSKCTSBCTSV
SCHEMBL7013531 0.72 CTSK (0.40) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5532498 0.72 CTSL (0.74) CTSSCTSLCTSKCTSBGRN
SCHEMBL6212781 0.70 CTSK (0.33) CTSSCTSLCTSK
SCHEMBL6842065 0.68 CTSK (0.56) CTSSCTSLCTSKCTSBCTSV

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed