SCHEMBL5774895

SCHEMBL5774895

CC(C)C1=NCCc2ccc([C@H]3C[C@@H]3c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.65
PLG P00747 6/20 0.65
PLAT P00750 6/20 0.65
KLK1 P06870 5/20 0.65
SLC6A4 P31645 6/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 4/20 0.46
F2 P00734 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 3/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
MAOA P21397 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
SCHEMBL5778208 1.00 PLAU (0.65) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5776089 1.00 PLAU (0.65) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5773994 0.91 PLAU (0.65) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5774145 0.88 PLAU (0.55) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777859 0.84 PLAU (0.51) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777850 0.84 PLAU (0.51) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5778430 0.84 PLAU (0.50) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777137 0.83 PLAU (0.49) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5779192 0.83 PLAU (0.51) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777147 0.83 PLAU (0.49) PLAUPLGPLATKLK1SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed