SCHEMBL4050837

SCHEMBL4050837

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
CTSK P43235 3/20 0.42
DPP7 Q9UHL4 1/20 0.42
ACE2 Q9BYF1 1/20 0.35
CASP3 P42574 5/20 0.34
CASP2 P42575 5/20 0.34
KMT2A Q03164 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
SCHEMBL4044240 0.91 CTSK (0.41) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4047638 0.89 CTSK (0.44) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4047119 0.88 CTSK (0.52) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4049054 0.88 DPP4 (0.52) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4046608 0.88 CTSK (0.45) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4054797 0.86 CTSK (0.46) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4045688 0.85 DPP4 (0.43) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4048910 0.85 CTSK (0.45) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4048664 0.85 DPP4 (0.42) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4040442 0.85 CTSK (0.45) DPP4DPP8DPP9CTSKDPP7

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