SCHEMBL4050929

SCHEMBL4050929

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

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
CTSK P43235 2/20 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
SCHEMBL4046931 0.90 CTSK (0.37) DPP4CTSK
SCHEMBL4052756 0.89 DPP4 (0.38) DPP4CTSK
SCHEMBL4049050 0.88 DPP4 (0.41) DPP4CTSK
SCHEMBL4044856 0.88 DPP4 (0.41) DPP4CTSK
SCHEMBL4045799 0.88 CTSK (0.35) DPP4CTSK
SCHEMBL4050899 0.87 DPP4 (0.40) DPP4CTSK
SCHEMBL4044431 0.87 CTSK (0.35) DPP4CTSK
SCHEMBL4046795 0.86 CTSK (0.41) DPP4CTSK
SCHEMBL4047580 0.86 CTSK (0.38) CTSK
SCHEMBL4045288 0.86 DPP4 (0.41) DPP4CTSK

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