SCHEMBL4044862

SCHEMBL4044862

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.46
DPP8 Q6V1X1 7/20 0.45
DPP9 Q86TI2 7/20 0.45
DPP7 Q9UHL4 4/20 0.45
CTSK P43235 3/20 0.45
FAP Q12884 2/20 0.41
PITRM1 Q5JRX3 1/20 0.33

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
SCHEMBL4049054 0.92 DPP4 (0.52) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4047584 0.90 DPP4 (0.44) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4050931 0.88 DPP4 (0.52) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4045289 0.88 DPP4 (0.47) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4041455 0.87 DPP4 (0.46) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4052757 0.87 DPP4 (0.48) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4050245 0.87 DPP4 (0.45) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4043693 0.86 DPP4 (0.47) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4044435 0.86 DPP4 (0.47) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4046936 0.85 DPP4 (0.44) DPP4DPP8DPP9DPP7CTSK

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