SCHEMBL4051086

SCHEMBL4051086

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)CC1CCCCC1N

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.52
CTSS P25774 5/20 0.41
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
HPGDS O60760 1/20 0.38
CTSB P07858 2/20 0.37
CTSL P07711 3/20 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
SCHEMBL4038744 0.91 CTSK (0.56) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4046306 0.90 CTSK (0.55) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4044011 0.86 CTSK (0.57) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4042324 0.86 CTSK (0.57) CTSKCTSSDPP4PREPCTSB
SCHEMBL4043125 0.85 CTSK (0.55) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4043316 0.85 CTSK (0.55) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4040919 0.85 CTSK (0.60) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4046198 0.85 CTSK (0.56) CTSKCTSSDPP4PREPHPGDS
SCHEMBL4042562 0.85 CTSK (0.58) CTSKCTSSHPGDSCTSBCTSL
SCHEMBL4042616 0.85 CTSK (0.59) CTSKCTSSHPGDSCTSBCTSL

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 1 patent. 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 claimed