SCHEMBL5779869

SCHEMBL5779869

CC(=O)N1CCc2cc(C=Cc3ccc4cc(C(=N)N)ccc4c3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.57
PLG P00747 3/20 0.49
PLAT P00750 2/20 0.49
KLK1 P06870 1/20 0.49
TMPRSS2 O15393 5/20 0.48
NOTUM Q6P988 1/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
KLKB1 P03952 1/20 0.41
F10 P00742 2/20 0.40

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
SCHEMBL5779866 1.00 PLAU (0.57) PLAUPLGPLATKLK1TMPRSS2
SCHEMBL5776285 0.87 TMPRSS2 (0.45) PLAUTMPRSS2NOTUM
SCHEMBL5776273 0.87 PLAU (0.43) PLAUTMPRSS2NOTUM
SCHEMBL5776279 0.87 PLAU (0.43) PLAUTMPRSS2NOTUM
SCHEMBL5777772 0.79 NOTUM (0.45) NOTUM
SCHEMBL5777770 0.79 NOTUM (0.45) NOTUM
SCHEMBL5775126 0.76 TMPRSS2 (0.43) PLAUTMPRSS2
SCHEMBL5775124 0.76 TMPRSS2 (0.43) PLAUTMPRSS2
SCHEMBL15652274 0.74 NOTUM (0.59) NOTUM
SCHEMBL7336999 0.73 PLAU (1.00) PLAUPLGPLATKLK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP claimed
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 claimed
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 claimed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO claimed
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 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
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed