SCHEMBL8348351

SCHEMBL8348351

O=C(N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1)c1ccoc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
CTSL P07711 5/20 0.59
CTSV O60911 3/20 0.59
CTSK P43235 7/20 0.57
CTSB P07858 1/20 0.41
HTRA1 Q92743 7/20 0.39
F2RL1 P55085 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL4219845 0.92 CTSK (0.67) CTSSCTSLCTSVCTSKCTSB
SCHEMBL5941431 0.92 CTSK (0.67) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4214766 0.92 CTSK (0.67) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4214768 0.92 CTSK (0.67) CTSSCTSLCTSVCTSKCTSB
SCHEMBL8350567 0.87 CTSS (0.57) CTSSCTSLCTSVCTSKF2RL1
SCHEMBL8349497 0.85 CTSK (0.57) CTSSCTSLCTSVCTSKCTSB
SCHEMBL8349905 0.84 CTSK (0.58) CTSSCTSLCTSVCTSK
SCHEMBL4213137 0.84 CTSK (0.56) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4213141 0.84 CTSK (0.56) CTSSCTSLCTSVCTSKCTSB
SCHEMBL5942062 0.84 CTSK (0.56) CTSSCTSLCTSVCTSKCTSB

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed