SCHEMBL4044612

SCHEMBL4044612

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.33
FAP Q12884 2/20 0.33
CTSK P43235 2/20 0.31
MC4R P32245 1/20 0.30
MC3R P41968 1/20 0.30
MC1R Q01726 1/20 0.30

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
SCHEMBL4044546 0.93 CTSK (0.39) CTSK
SCHEMBL4048681 0.92 CTSL (0.32) CTSK
SCHEMBL4043203 0.91 CTSK (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4041176 0.90 CTSL (0.36) PREPFAPCTSK
SCHEMBL4047167 0.90 USP30 (0.36) CTSK
SCHEMBL4045685 0.89 PREP (0.34) PREPFAPCTSKMC4RMC3R
SCHEMBL4041899 0.89 CTSK (0.39) PREPFAPCTSK
SCHEMBL4045509 0.88 PREP (0.33) PREPFAPCTSK
SCHEMBL4042699 0.88 CTSK (0.32) PREPFAPCTSK
SCHEMBL4039641 0.86 CTSK (0.34) PREPFAPCTSK

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