SCHEMBL4049050

SCHEMBL4049050

CC(C)CC(N)C(=O)N1CC(=O)C2C1CCN2C(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CTSK P43235 2/20 0.40

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
SCHEMBL4044431 0.91 CTSK (0.35) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052756 0.91 DPP4 (0.38) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4043687 0.90 CTSK (0.40) CTSK
SCHEMBL4050899 0.89 DPP4 (0.40) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050929 0.88 DPP4 (0.45) DPP4CTSK
SCHEMBL4045288 0.88 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045379 0.87 CTSK (0.38) CTSK
SCHEMBL4049054 0.86 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044856 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4047114 0.85 CTSK (0.48) CTSK

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