SCHEMBL4044856

SCHEMBL4044856

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.41
CTSK P43235 2/20 0.38
DPP8 Q6V1X1 5/20 0.37
DPP9 Q86TI2 5/20 0.37
FAP Q12884 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL4047580 0.90 CTSK (0.38) CTSK
SCHEMBL4045288 0.90 DPP4 (0.41) DPP4CTSKDPP8DPP9FAP
SCHEMBL4050929 0.88 DPP4 (0.45) DPP4CTSK
SCHEMBL4041125 0.88 CTSK (0.35) CTSK
SCHEMBL4050242 0.87 CTSK (0.36) CTSK
SCHEMBL4052756 0.87 DPP4 (0.38) DPP4CTSKDPP8DPP9FAP
SCHEMBL4046931 0.86 CTSK (0.37) DPP4CTSK
SCHEMBL4049050 0.86 DPP4 (0.41) DPP4CTSKDPP8DPP9DPP7
SCHEMBL4046603 0.85 CTSK (0.39) CTSK
SCHEMBL4046991 0.85 CTSK (0.34) 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