SCHEMBL4042489

SCHEMBL4042489

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
PREP P48147 4/20 0.38
FAP Q12884 4/20 0.38
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TGM2 P21980 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
PTK2 Q05397 1/20 0.32
PDE5A O76074 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
ADRA1D P25100 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
SCHEMBL4045678 0.92 CTSK (0.49) CTSKCTSLCTSSGRNSORT1
SCHEMBL4044582 0.91 CTSK (0.40) CTSKPREPFAPCTSLCTSS
SCHEMBL4042235 0.88 PREP (0.36) CTSKPREPFAPCTSLCTSS
SCHEMBL4045549 0.86 CTSL (0.39) CTSKPREPFAPCTSLCTSS
SCHEMBL4043597 0.85 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4045843 0.85 CTSK (0.43) CTSKPREPFAPCTSLCTSS
SCHEMBL4045929 0.84 PREP (0.36) CTSKPREPFAP
SCHEMBL4045942 0.84 CTSK (0.41) CTSKPREPFAPCTSLCTSS
SCHEMBL4049188 0.84 CTSK (0.40) CTSKPREPFAPCTSLCTSS
SCHEMBL4043756 0.84 CTSK (0.40) CTSKPREPFAPCTSLCTSS

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