SCHEMBL4041899

SCHEMBL4041899

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
PDE4B Q07343 2/20 0.32
PDE5A O76074 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
TGM2 P21980 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
SCHEMBL4046471 0.92 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4044727 0.91 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL4043756 0.91 CTSK (0.40) CTSKPREPFAPCTSLCTSS
SCHEMBL4040702 0.89 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL4044612 0.89 PREP (0.33) CTSKPREPFAP
SCHEMBL4045942 0.89 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4041176 0.86 CTSL (0.36) CTSKPREPFAPCTSLCTSS
SCHEMBL4049326 0.85 CTSK (0.42) CTSKPREPFAPCTSLCTSS
SCHEMBL4040451 0.85 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4045509 0.85 PREP (0.33) CTSKPREPFAP

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