SCHEMBL4047119

SCHEMBL4047119

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.52
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ACE2 Q9BYF1 2/20 0.38
ALDH1A1 P00352 1/20 0.36
CTSS P25774 2/20 0.36
STAT3 P40763 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4054797 0.94 CTSK (0.46) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048910 0.93 CTSK (0.45) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4040442 0.92 CTSK (0.45) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4046803 0.91 CTSK (0.48) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4047638 0.90 CTSK (0.44) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5942075 0.89 CTSK (0.47) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4049054 0.89 DPP4 (0.52) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4050837 0.88 DPP4 (0.44) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4046608 0.86 CTSK (0.45) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4045688 0.86 DPP4 (0.43) 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