SCHEMBL4045685

SCHEMBL4045685

CCCC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.34
FAP Q12884 2/20 0.34
CTSK P43235 3/20 0.33
MC4R P32245 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL4045960 0.92 CTSK (0.41) CTSK
SCHEMBL4044691 0.90 PREP (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4044612 0.89 PREP (0.33) PREPFAPCTSKMC4RMC3R
SCHEMBL4047847 0.89 CTSK (0.38) CTSK
SCHEMBL4047432 0.88 ALDH1A1 (0.35) PREPFAPCTSK
SCHEMBL4043203 0.88 CTSK (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4039641 0.88 CTSK (0.34) PREPFAPCTSK
SCHEMBL4052303 0.88 CTSK (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4045942 0.88 CTSK (0.41) PREPFAPCTSK
SCHEMBL4038257 0.87 PREP (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