SCHEMBL4045830

SCHEMBL4045830

CCCC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.39
CTSL P07711 15/20 0.36
CTSS P25774 11/20 0.36
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
CTSB P07858 3/20 0.35
CTSV O60911 2/20 0.35

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
SCHEMBL4045412 0.92 CTSK (0.48) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046175 0.92 CTSK (0.37) CTSKCTSLCTSSPREPFAP
SCHEMBL4051523 0.89 ALDH1A1 (0.37) CTSKCTSLCTSSPREPFAP
SCHEMBL4049192 0.89 CTSK (0.37) CTSKCTSLCTSSPREPFAP
SCHEMBL4043597 0.87 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4044465 0.87 CTSK (0.43) CTSKCTSLCTSSPREPFAP
SCHEMBL4044711 0.86 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043756 0.86 CTSK (0.40) CTSKCTSLCTSSPREPFAP
SCHEMBL4050441 0.85 CTSK (0.39) CTSKCTSLCTSSPREPFAP
SCHEMBL4049188 0.84 CTSK (0.40) CTSKCTSLCTSSPREPFAP

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