SCHEMBL4049192

SCHEMBL4049192

CCCC(NC(=O)Oc1cc2ccccc2o1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.37
CTSL P07711 15/20 0.37
CTSS P25774 11/20 0.37
CTSB P07858 5/20 0.37
CTSV O60911 2/20 0.37
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 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
SCHEMBL4041738 0.93 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046525 0.93 TAS1R3 (0.34) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044711 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047709 0.90 ALDH1A1 (0.34) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045830 0.89 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4046940 0.88 KDM4E (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048824 0.88 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042961 0.88 CTSK (0.36) CTSKCTSLCTSSPREPFAP
SCHEMBL4047535 0.88 MC4R (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043203 0.87 CTSK (0.35) 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