SCHEMBL5776166

SCHEMBL5776166

CC(=O)N1CCc2cc(C3CC3c3ccc4cc(C(N)=NO)ccc4c3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.46
PLG P00747 7/20 0.43
PLAT P00750 7/20 0.43
KLK1 P06870 7/20 0.43
TMPRSS2 O15393 2/20 0.41
NOTUM Q6P988 1/20 0.41
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
PRMT5 O14744 1/20 0.38
MCHR1 Q99705 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL5776165 1.00 PLAU (0.46) PLAUPLGPLATKLK1TMPRSS2
SCHEMBL5776169 0.82 PLAU (0.46) PLAUPLGPLATKLK1TMPRSS2
SCHEMBL5776273 0.82 PLAU (0.43) PLAUTMPRSS2NOTUMHDAC6HDAC8
SCHEMBL5776279 0.82 PLAU (0.43) PLAUTMPRSS2NOTUMHDAC6HDAC8
SCHEMBL5779442 0.78 SLC6A2 (0.43) PLAUNOTUM
SCHEMBL5775124 0.71 TMPRSS2 (0.43) PLAUTMPRSS2HDAC6HDAC8CA1
SCHEMBL5775126 0.71 TMPRSS2 (0.43) PLAUTMPRSS2HDAC6HDAC8CA1
SCHEMBL2602112 0.69 ESR2 (0.65) TMPRSS2HDAC6HDAC8CA1CA2
SCHEMBL5779866 0.69 PLAU (0.57) PLAUPLGPLATKLK1TMPRSS2
SCHEMBL5779869 0.69 PLAU (0.57) PLAUPLGPLATKLK1TMPRSS2

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 8 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-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