SCHEMBL6254282

SCHEMBL6254282

CC(CCNC(=O)OCc1ccccc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.38
CTSL P07711 13/20 0.38
CTSS P25774 12/20 0.38
GAA P10253 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ANPEP P15144 1/20 0.36
KCNA5 P22460 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
SCHEMBL6210847 0.89 KEAP1 (0.38) GAADPP8DPP7KEAP1NFE2L2
SCHEMBL6209447 0.87 ALDH1A1 (0.41) CTSKCTSSGAAKEAP1NFE2L2
SCHEMBL6211270 0.85 TGM2 (0.41) CTSKCTSLCTSSGAADPP4
SCHEMBL6211014 0.85 CTSB (0.39) CTSKCTSSGAAKCNA5
SCHEMBL6211360 0.84 CHRM4 (0.40) CTSKCTSLCTSSGAA
SCHEMBL6210259 0.84 MEN1 (0.38) CTSKCTSLCTSSDPP4
SCHEMBL6211016 0.83 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL6213254 0.82 CTSK (0.44) CTSKCTSLCTSS
SCHEMBL6210934 0.82 CTSK (0.44) CTSKCTSLCTSSGAA
SCHEMBL6211626 0.82 CCR5 (0.38) CTSKCTSLCTSSDPP4

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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed