SCHEMBL5606178

SCHEMBL5606178

N#CC1(NC(=O)[C@H](CC2CCCCC2)NCC=NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.52
CTSL P07711 19/20 0.52
CTSK P43235 14/20 0.45
CTSB P07858 10/20 0.45

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
SCHEMBL5604849 0.86 CTSS (0.59) CTSSCTSLCTSKCTSB
SCHEMBL3610313 0.82 CTSL (0.56) CTSSCTSLCTSKCTSB
SCHEMBL5606180 0.80 CTSS (0.39) CTSSCTSLCTSKCTSB
SCHEMBL5605465 0.78 CTSL (0.42) CTSSCTSLCTSKCTSB
SCHEMBL3619733 0.77 CTSL (0.50) CTSSCTSLCTSKCTSB
SCHEMBL3620955 0.76 CTSL (0.49) CTSSCTSLCTSKCTSB
SCHEMBL13504861 0.73 CTSS (0.60) CTSSCTSLCTSKCTSB
SCHEMBL3621514 0.73 CTSS (0.60) CTSSCTSLCTSKCTSB
SCHEMBL5606039 0.72 CTSL (0.39) CTSSCTSLCTSKCTSB
SCHEMBL3625025 0.71 LTA4H (0.43) CTSSCTSLCTSKCTSB

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