SCHEMBL4042281

SCHEMBL4042281

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
F10 P00742 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4042997 0.83 CTSK (0.47) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4044140 0.82 CTSK (0.61) CTSKF10POLBCTSS
SCHEMBL4049054 0.82 DPP4 (0.52) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5941514 0.81 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048380 0.81 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4043757 0.81 CTSK (0.57) CTSKF10CTSS
SCHEMBL4042499 0.79 CTSK (0.74) CTSKF10CTSS
SCHEMBL4042279 0.79 CTSK (0.37) CTSKALDH1A1HPGDF10SMN1; SMN2
SCHEMBL4044250 0.79 CTSK (0.49) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4044700 0.79 CTSK (0.52) CTSKDPP4DPP8DPP9DPP7

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