SCHEMBL4050557

SCHEMBL4050557

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
CTSK P43235 2/20 0.39
HDAC8 Q9BY41 1/20 0.35
GAA P10253 1/20 0.32
PEPD P12955 1/20 0.31
XPNPEP1 Q9NQW7 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
SCHEMBL4049034 0.93 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045384 0.92 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044435 0.89 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049054 0.88 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045804 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045257 0.86 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4046995 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050902 0.83 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052757 0.83 DPP4 (0.48) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050245 0.83 DPP4 (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