SCHEMBL4043885

SCHEMBL4043885

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.37
DPP4 P27487 2/20 0.37
PREP P48147 2/20 0.37
CTSK P43235 2/20 0.34

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
SCHEMBL4047635 0.84 PREP (0.38) FAPPREPCTSK
SCHEMBL4042191 0.84 CTSK (0.36) CTSK
SCHEMBL4044092 0.84 CTSK (0.35) CTSK
SCHEMBL4043149 0.83 DPP4 (0.38) FAPDPP4PREPCTSK
SCHEMBL4046902 0.83 CTSK (0.33) CTSK
SCHEMBL4045574 0.83 CTSK (0.33) CTSK
SCHEMBL4052224 0.83 CTSK (0.33) CTSK
SCHEMBL4050832 0.82 DPP4 (0.40) DPP4CTSK
SCHEMBL4044210 0.82 CTSK (0.32) CTSK
SCHEMBL4054795 0.82 CTSK (0.39) 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