SCHEMBL4042495

SCHEMBL4042495

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCCC1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.38
DPP7 Q9UHL4 7/20 0.38
DPP8 Q6V1X1 6/20 0.38
DPP9 Q86TI2 4/20 0.38
FAP Q12884 1/20 0.38
CTSK P43235 2/20 0.33
KCNH2 Q12809 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
SCHEMBL4048573 0.99 DPP4 (0.37) DPP4DPP7DPP8DPP9FAP
SCHEMBL4048659 0.87 CTSK (0.35) DPP4CTSK
SCHEMBL4045288 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9FAP
SCHEMBL4045682 0.86 CTSK (0.35) CTSK
SCHEMBL4047889 0.85 CTSK (0.33) CTSK
SCHEMBL4052756 0.85 DPP4 (0.38) DPP4DPP7DPP8DPP9FAP
SCHEMBL4049050 0.84 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044856 0.84 DPP4 (0.41) DPP4DPP7DPP8DPP9FAP
SCHEMBL4045968 0.84 CTSK (0.33) CTSK
SCHEMBL4041125 0.84 CTSK (0.35) 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