SCHEMBL4048016

SCHEMBL4048016

Cc1c(OC(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.46
CTSL P07711 17/20 0.46
CTSS P25774 13/20 0.46
CTSB P07858 4/20 0.46
CTSV O60911 2/20 0.46

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
SCHEMBL4046671 0.93 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043247 0.93 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042095 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4049252 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047038 0.90 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6209147 0.88 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039790 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041529 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043622 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041849 0.85 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV

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