SCHEMBL5778723

SCHEMBL5778723

CC(C)C1c2cc(C3CC3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1Cc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 16/20 0.65
PLG P00747 10/20 0.65
PLAT P00750 9/20 0.65
KLK1 P06870 8/20 0.65
ASIC3 Q9UHC3 1/20 0.46
DRD2 P14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD4 P21917 1/20 0.35
F2 P00734 2/20 0.34
KLKB1 P03952 2/20 0.34
PRSS1 P07477 2/20 0.34

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
SCHEMBL5776977 0.90 PLAU (0.71) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776204 0.84 PLAU (0.77) PLAUPLGPLATKLK1ASIC3
SCHEMBL5772727 0.82 PLAU (0.78) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775596 0.81 PLAU (0.76) PLAUPLGPLATKLK1ASIC3
SCHEMBL5777994 0.81 PLAU (0.72) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774505 0.81 PLAU (0.72) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775814 0.79 PLAU (1.00) PLAUPLGPLATKLK1ASIC3
SCHEMBL29531162 0.79 PLAU (1.00) PLAUPLGPLATKLK1ASIC3
SCHEMBL5777009 0.78 PLAU (0.80) PLAUPLGPLATKLK1ASIC3
SCHEMBL5779572 0.76 PLAU (0.76) PLAUPLGPLATKLK1ASIC3

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