SCHEMBL5779380

SCHEMBL5779380

CC(C)C1NCCc2ccc(C=Cc3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
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
PNMT P11086 6/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
BTK Q06187 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 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
SCHEMBL5779379 1.00 PRCP (0.44) PRCPPLAUF2PLGPLAT
SCHEMBL5774767 0.81 SLC6A4 (0.46) PRCPPLAUF2PLGPLAT
SCHEMBL5775530 0.79 PLAU (0.66) PRCPPLAUF2PLGPLAT
SCHEMBL5777231 0.79 ASIC3 (0.54) PLAUPLGPLATDRD2DRD3
SCHEMBL5775525 0.79 PLAU (0.66) PRCPPLAUF2PLGPLAT
SCHEMBL5777233 0.79 ASIC3 (0.54) PLAUPLGPLATDRD2DRD3
SCHEMBL5776937 0.75 ASIC3 (0.41) PLAUPLGPLATDRD2DRD3
SCHEMBL5776935 0.75 ASIC3 (0.41) PLAUPLGPLATDRD2DRD3
SCHEMBL31528218 0.74 PRCP (0.55) PRCPPLAUF2PLGPLAT
SCHEMBL5775607 0.73 DRD2 (0.66) 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 3 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
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