SCHEMBL5779092

SCHEMBL5779092

COC(=O)N1CCc2ccc(C=Cc3ccc4cc(C(=N)N)ccc4c3)cc2C1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
PLAU P00749 17/20 0.51
PLG P00747 7/20 0.51
PLAT P00750 6/20 0.51
KLK1 P06870 3/20 0.51
F2 P00734 4/20 0.44
KLKB1 P03952 4/20 0.44
PRSS1 P07477 4/20 0.44
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36

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
SCHEMBL5779090 1.00 ASIC3 (0.52) ASIC3PLAUPLGPLATKLK1
SCHEMBL5771875 0.84 ASIC3 (0.71) ASIC3PLAUPLGPLATKLK1
SCHEMBL5771873 0.84 ASIC3 (0.71) ASIC3PLAUPLGPLATKLK1
SCHEMBL5771882 0.83 DRD2 (0.40) ASIC3
SCHEMBL5771876 0.83 DRD2 (0.40) ASIC3
SCHEMBL5779572 0.74 PLAU (0.76) ASIC3PLAUPLGPLATKLK1
SCHEMBL5775530 0.74 PLAU (0.66) ASIC3PLAUPLGPLATKLK1
SCHEMBL5775525 0.74 PLAU (0.66) ASIC3PLAUPLGPLATKLK1
SCHEMBL5776937 0.72 ASIC3 (0.41) ASIC3PLAUPLGPLATKLK1
SCHEMBL5776935 0.72 ASIC3 (0.41) ASIC3PLAUPLGPLATKLK1

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