SCHEMBL5776149

SCHEMBL5776149

N=C(NO)c1ccc2cc(C=Cc3ccc4c(c3)CCNC4)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.74
PLG P00747 2/20 0.47
PLAT P00750 2/20 0.47
F2 P00734 1/20 0.47
KLKB1 P03952 1/20 0.47
PRSS1 P07477 1/20 0.47
KLK1 P06870 1/20 0.42
ASIC3 Q9UHC3 2/20 0.41
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PNMT P11086 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL7336999 0.85 PLAU (1.00) PLAUPLGPLATF2KLKB1
SCHEMBL772708 0.84 ASIC3 (0.53) PLAUPLGPLATF2KLKB1
SCHEMBL773532 0.79 PNMT (0.53) ASIC3DRD2DRD3PNMT
SCHEMBL5776145 0.78 PLAU (0.74) PLAUPLGPLATF2KLKB1
SCHEMBL5776142 0.78 PLAU (0.74) PLAUPLGPLATF2KLKB1
SCHEMBL5775610 0.74 DRD2 (0.66) PLAUPLGPLATF2KLKB1
SCHEMBL5775607 0.74 DRD2 (0.66) PLAUPLGPLATF2KLKB1
SCHEMBL5776285 0.74 TMPRSS2 (0.45) PLAU
SCHEMBL30199266 0.68 PNMT (0.55) PLAUDRD2DRD3PNMT
SCHEMBL29097815 0.68 PNMT (0.55) PLAUDRD2DRD3PNMT

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 9 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-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 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