SCHEMBL5778336

SCHEMBL5778336

CC(=O)N1CCc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc2C1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.51
PLG P00747 2/20 0.51
PLAT P00750 2/20 0.51
KLK1 P06870 2/20 0.51
ASIC3 Q9UHC3 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
DRD2 P14416 3/20 0.36
TRPM8 Q7Z2W7 5/20 0.35
DRD3 P35462 2/20 0.35
CYP2D6 P10635 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CCR2 P41597 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
HSD17B3 P37058 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
SCHEMBL5776360 0.85 PLAU (0.66) PLAUPLGPLATKLK1ASIC3
SCHEMBL5779436 0.84 PLAU (0.52) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776935 0.83 ASIC3 (0.41) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776937 0.83 ASIC3 (0.41) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776998 0.82 PLAU (0.50) PLAUPLGPLATKLK1ASIC3
SCHEMBL5777688 0.82 PLAU (0.52) PLAUPLGPLATKLK1ASIC3
SCHEMBL5779572 0.82 PLAU (0.76) PLAUPLGPLATKLK1ASIC3
SCHEMBL5778140 0.80 PLAU (0.50) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775015 0.79 PLAU (0.47) PLAUPLGPLATKLK1ASIC3
SCHEMBL5777909 0.79 PLAU (0.47) 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