SCHEMBL4041785

SCHEMBL4041785

CCCC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
CTSK P43235 7/20 0.33
CTSL P07711 4/20 0.31
CTSS P25774 4/20 0.31
MC4R P32245 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31

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
SCHEMBL4043853 0.93 CTSK (0.37) CTSKCTSLCTSS
SCHEMBL4047693 0.92 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL4052303 0.90 CTSK (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4046656 0.90 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL4050085 0.89 CTSS (0.40) CTSKCTSLCTSS
SCHEMBL4044691 0.88 PREP (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4047535 0.88 MC4R (0.38) PREPFAPCTSKCTSLCTSS
SCHEMBL4042961 0.88 CTSK (0.36) PREPFAPCTSKCTSLCTSS
SCHEMBL6213754 0.88 CTSK (0.40) PREPFAPCTSKCTSLCTSS
SCHEMBL4049845 0.88 CTSK (0.40) PREPFAPCTSKCTSLCTSS

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