SCHEMBL4048664

SCHEMBL4048664

CC(=O)NC(C(=O)N1CC(=O)C2C1CCN2C(=O)C(N)CC(C)C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CTSK P43235 8/20 0.41
CTSS P25774 3/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 1/20 0.38
MMP1 P03956 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 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
SCHEMBL4045688 0.99 DPP4 (0.43) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4042497 0.86 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4047638 0.86 CTSK (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4047119 0.85 CTSK (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4048576 0.85 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049054 0.85 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050837 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4054797 0.84 CTSK (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4048910 0.83 CTSK (0.45) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4046608 0.83 CTSK (0.45) DPP4DPP7DPP8DPP9CTSK

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