SCHEMBL5779436

SCHEMBL5779436

CC(C)C1c2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2CCN1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.52
PLG P00747 4/20 0.52
PLAT P00750 4/20 0.52
KLK1 P06870 4/20 0.52
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
ASIC3 Q9UHC3 1/20 0.41
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
PRMT5 O14744 1/20 0.32
ABCB1 P08183 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5776360 0.88 PLAU (0.66) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5776998 0.86 PLAU (0.50) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5778336 0.84 PLAU (0.51) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5778140 0.83 PLAU (0.50) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777688 0.83 PLAU (0.52) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777909 0.82 PLAU (0.47) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5775015 0.82 PLAU (0.47) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5777009 0.80 PLAU (0.80) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774767 0.78 SLC6A4 (0.46) PLAUPLGPLATKLK1SLC6A4
SCHEMBL5774652 0.78 PLAU (0.64) PLAUPLGPLATKLK1SLC6A4

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