SCHEMBL4052232

SCHEMBL4052232

CCCC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSB P07858 1/20 0.38
PREP P48147 3/20 0.36
FAP Q12884 3/20 0.36
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL4044864 0.93 CTSK (0.43) CTSKCTSLCTSSCTSB
SCHEMBL4042235 0.92 PREP (0.36) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044872 0.90 CTSK (0.44) CTSKCTSLCTSSCTSBPREP
SCHEMBL4047535 0.89 MC4R (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044582 0.88 CTSK (0.40) CTSKCTSLCTSSCTSBPREP
SCHEMBL4045687 0.88 MC4R (0.34) CTSKCTSLCTSSCTSBPREP
SCHEMBL4044622 0.88 CTSK (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4043678 0.87 ALDH1A1 (0.38) CTSKCTSLCTSSCTSBPREP
SCHEMBL4043203 0.86 CTSK (0.35) CTSKCTSLCTSSCTSBPREP
SCHEMBL4052303 0.86 CTSK (0.35) CTSKPREPFAPMC4RMC3R

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