SCHEMBL4051340

SCHEMBL4051340

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.44
DPP8 Q6V1X1 5/20 0.44
DPP9 Q86TI2 5/20 0.44
DPP7 Q9UHL4 3/20 0.44
CTSK P43235 2/20 0.40
FAP Q12884 1/20 0.39
HSD11B1 P28845 1/20 0.34
PEPD P12955 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
PARP1 P09874 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
SCHEMBL4049395 0.97 DPP4 (0.43) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4049054 0.84 DPP4 (0.52) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4045970 0.84 DPP4 (0.48) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4047890 0.83 DPP4 (0.47) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4052757 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4046575 0.80 DPP4 (0.44) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4043977 0.80 DPP4 (0.44) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4037619 0.80 CTSK (0.59) DPP4DPP8CTSK
SCHEMBL4050931 0.79 DPP4 (0.52) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4045018 0.79 DPP4 (0.48) 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