SCHEMBL4048910

SCHEMBL4048910

CC(=O)NC(CCC(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)C(N)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.45
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ACE2 Q9BYF1 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSS P25774 1/20 0.31
GAA P10253 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL4040442 0.93 CTSK (0.45) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4047119 0.93 CTSK (0.52) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4054797 0.91 CTSK (0.46) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4046803 0.88 CTSK (0.48) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4047638 0.87 CTSK (0.44) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4044435 0.87 DPP4 (0.47) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4049054 0.86 DPP4 (0.52) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4050837 0.85 DPP4 (0.44) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4045257 0.84 DPP4 (0.44) CTSKDPP4DPP7DPP8DPP9
SCHEMBL4046608 0.84 CTSK (0.45) CTSKDPP4DPP7DPP8DPP9

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