SCHEMBL4042235

SCHEMBL4042235

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.36
FAP Q12884 3/20 0.36
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL4053835 0.93 CTSK (0.40) CTSKCTSLCTSBCTSSGRN
SCHEMBL4052232 0.92 CTSK (0.38) PREPFAPCTSKCTSLCTSB
SCHEMBL6209255 0.90 PREP (0.41) PREPFAPCTSKCTSLCTSB
SCHEMBL4045549 0.90 CTSL (0.39) PREPFAPCTSKCTSLCTSB
SCHEMBL4050283 0.89 PREP (0.35) PREPFAPCTSKCTSSMC4R
SCHEMBL4042489 0.88 CTSK (0.40) PREPFAPCTSKCTSLCTSS
SCHEMBL4042075 0.88 PREP (0.36) PREPFAPCTSKCTSLCTSB
SCHEMBL4047535 0.86 MC4R (0.38) PREPFAPCTSKCTSLCTSB
SCHEMBL4052303 0.86 CTSK (0.35) PREPFAPCTSKMC4RMC3R
SCHEMBL4046666 0.86 HSD17B10 (0.36) PREPFAPCTSKCTSSHCRTR2

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