SCHEMBL5776489

SCHEMBL5776489

CCC1CNCc2ccc(C=Cc3ccc4cc(C(=N)N)ccc4c3)cc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 14/20 0.66
PLG P00747 6/20 0.66
F2 P00734 5/20 0.66
KLKB1 P03952 5/20 0.66
PRSS1 P07477 5/20 0.66
PLAT P00750 4/20 0.66
KLK1 P06870 2/20 0.48
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
PRMT1 Q99873 2/20 0.35
PRMT5 O14744 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F12 P00748 1/20 0.35

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
SCHEMBL5777924 1.00 PLAU (0.66) PLAUPLGF2KLKB1PRSS1
SCHEMBL5776002 0.82 PLAU (0.65) PLAUPLGF2KLKB1PRSS1
SCHEMBL4309463 0.80 PLAU (1.00) PLAUPLGF2KLKB1PRSS1
SCHEMBL30583187 0.80 PLAU (1.00) PLAUPLGF2KLKB1PRSS1
SCHEMBL5778031 0.78 PLAU (0.41) PLAUPLGF2KLKB1PRSS1
SCHEMBL5778035 0.78 PLAU (0.41) PLAUPLGF2KLKB1PRSS1
SCHEMBL7336999 0.75 PLAU (1.00) PLAUPLGF2KLKB1PRSS1
Trifluoroacetic Acid SCHEMBL7336833 0.75 PLAU (0.88) PLAUPLGF2KLKB1PRSS1
SCHEMBL7339262 0.72 PLAU (0.73) PLAUPLGF2KLKB1PRSS1
SCHEMBL5775238 0.71 PLAU (0.46) PLAUPLGF2KLKB1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP claimed
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