SCHEMBL4049033

SCHEMBL4049033

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33

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
SCHEMBL4050554 0.93 CTSK (0.34) CTSK
SCHEMBL4045379 0.90 CTSK (0.38) CTSK
SCHEMBL4045799 0.88 CTSK (0.35) CTSK
SCHEMBL4045397 0.87 CTSK (0.34) CTSK
SCHEMBL4050899 0.87 DPP4 (0.40) CTSK
SCHEMBL4046991 0.85 CTSK (0.34) CTSK
SCHEMBL4052736 0.85 CTSK (0.34) CTSK
SCHEMBL4050242 0.84 CTSK (0.36) CTSK
SCHEMBL4040440 0.83 CTSK (0.38) CTSK
SCHEMBL4052756 0.83 DPP4 (0.38) 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