SCHEMBL7014652

SCHEMBL7014652

C=Cc1ccc(C(=O)NCCC(C)CC(=O)N2CCCC3OCC(=O)C32)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.44
CTSS P25774 4/20 0.39
CTSV O60911 3/20 0.39
CTSL P07711 3/20 0.39
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
DPP4 P27487 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL4458891 0.95 CTSK (0.49) CTSKCTSSCTSVCTSLPLD2
SCHEMBL7014847 0.89 CTSK (0.44) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4459112 0.89 CTSS (0.50) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4451291 0.88 CTSK (0.56) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7020885 0.87 CTSK (0.43) CTSKCTSSCTSVCTSLDPP4
SCHEMBL7016550 0.85 CTSK (0.41) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4457853 0.84 PREP (0.47) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4452707 0.84 CTSK (0.50) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4452660 0.83 CTSK (0.49) CTSKCTSSCTSVCTSL
SCHEMBL4452610 0.83 CTSK (0.49) CTSKCTSSCTSVCTSL

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-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed