SCHEMBL5778031

SCHEMBL5778031

CCC1CNCc2ccc(/C=C/c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
SLC6A3 Q01959 5/20 0.39
KCNH2 Q12809 2/20 0.37
HTR3A P46098 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PNMT P11086 2/20 0.36
PDE9A O76083 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 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
SCHEMBL5778035 1.00 PLAU (0.41) PLAUF2PLGPLATKLKB1
SCHEMBL5776489 0.78 PLAU (0.66) PLAUF2PLGPLATKLKB1
SCHEMBL5777924 0.78 PLAU (0.66) PLAUF2PLGPLATKLKB1
SCHEMBL5772873 0.74 DRD2 (0.44) SLC6A4KCNH2DRD2DRD3HRH3
SCHEMBL5772871 0.74 DRD2 (0.44) SLC6A4KCNH2DRD2DRD3HRH3
SCHEMBL5775610 0.73 DRD2 (0.66) PLAUF2PLGPLATKLKB1
SCHEMBL5775607 0.73 DRD2 (0.66) PLAUF2PLGPLATKLKB1
SCHEMBL5777533 0.71 HDAC1 (0.41) DRD2
SCHEMBL5777531 0.71 HDAC1 (0.41) DRD2
SCHEMBL5779379 0.70 PRCP (0.44) PLAUF2PLGPLATKLKB1

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