SCHEMBL5604849

SCHEMBL5604849

N#CCNC(=O)[C@H](CC1CCCCC1)NCC=NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.59
CTSL P07711 8/20 0.59
CTSK P43235 8/20 0.59
CTSB P07858 5/20 0.59
CTSV O60911 2/20 0.41
USP30 Q70CQ3 1/20 0.41
KLKB1 P03952 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL13504861 0.87 CTSS (0.60) CTSSCTSLCTSKCTSBCTSV
SCHEMBL3621514 0.87 CTSS (0.60) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5606178 0.86 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL5606039 0.81 CTSL (0.39) CTSSCTSLCTSKCTSB
SCHEMBL3618168 0.81 CTSS (0.66) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5604851 0.79 CTSK (0.39) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5522068 0.79 CTSK (0.68) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5527516 0.75 CTSS (0.72) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5525339 0.74 CTSL (1.00) CTSSCTSLCTSKCTSBUSP30
SCHEMBL6867271 0.74 CTSL (1.00) CTSSCTSLCTSKCTSBUSP30

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-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed