SCHEMBL4052736

SCHEMBL4052736

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
DPP4 P27487 4/20 0.32
FAP Q12884 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31

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
SCHEMBL4046991 0.91 CTSK (0.34) CTSK
SCHEMBL4045130 0.87 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL4040620 0.87 DPP4 (0.34) CTSKDPP4FAPDPP8DPP9
SCHEMBL4052756 0.85 DPP4 (0.38) CTSKDPP4FAPDPP8DPP9
SCHEMBL4049033 0.85 CTSK (0.33) CTSK
SCHEMBL4050242 0.84 CTSK (0.36) CTSK
SCHEMBL4045379 0.84 CTSK (0.38) CTSK
SCHEMBL4044235 0.83 CTSK (0.35) CTSKDPP4DPP8DPP9
SCHEMBL4050554 0.83 CTSK (0.34) CTSK
SCHEMBL4045799 0.82 CTSK (0.35) CTSKDPP4

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