SCHEMBL5774004

SCHEMBL5774004

N#Cc1ccc2cc(C3CC3c3ccc4c(c3)C(c3ccccc3)=NCC4)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.66
PLG P00747 5/20 0.66
PLAT P00750 5/20 0.66
KLK1 P06870 5/20 0.66
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPK10 P53779 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CYP11B2 P19099 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
KDM1A O60341 1/20 0.33

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 0.80 PLAU (0.65) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5776089 0.80 PLAU (0.65) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5774895 0.80 PLAU (0.65) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5777003 0.79 PLAU (1.00) PLAUPLGPLATKLK1
SCHEMBL5777314 0.79 PLAU (0.66) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5771966 0.78 SLC6A4 (0.47) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5773994 0.73 PLAU (0.65) PLAUPLGPLATKLK1SLC6A2
SCHEMBL7701030 0.70 NOS3 (0.45) MAPK10GABRA1GABRG2GABRB3GABRA5
SCHEMBL5774145 0.69 PLAU (0.55) PLAUPLGPLATKLK1SLC6A2
SCHEMBL5799891 0.69 PLAU (0.55) PLAUPLGPLATKLK1SLC6A2

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 5 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
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