SCHEMBL4050765

SCHEMBL4050765

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
PIK3CD O00329 1/20 0.42
PREP P48147 3/20 0.39
FAP Q12884 2/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.36
MAPK1 P28482 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
SCHEMBL5942111 1.00 CTSK (0.51) CTSKPIK3CDPREPFAPGAA
SCHEMBL4044700 0.88 CTSK (0.52) CTSKPIK3CDPREPFAPDPP4
SCHEMBL5941514 0.88 CTSK (0.64) CTSKPIK3CDFAPDPP4DPP8
SCHEMBL4048380 0.88 CTSK (0.64) CTSKPIK3CDFAPDPP4DPP8
SCHEMBL4047662 0.85 CTSK (0.41) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4043042 0.83 CTSK (0.68) CTSKPIK3CDPREPFAPCTSS
SCHEMBL4040770 0.82 CTSK (0.48) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4039220 0.81 HSD17B10 (0.42) CTSKGAADPP4DPP8DPP9
SCHEMBL4049054 0.81 DPP4 (0.52) CTSKFAPDPP4DPP8DPP9
SCHEMBL4044250 0.80 CTSK (0.49) 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