SCHEMBL5777934

SCHEMBL5777934

COC/C=C/c1cc(C2CC2c2ccc3c(c2)C(C(C)C)N(C)CC3)cc2ccc(C(=N)N)cc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 18/20 0.68
PLG P00747 12/20 0.68
PLAT P00750 11/20 0.68
KLK1 P06870 10/20 0.68
ASIC3 Q9UHC3 1/20 0.49
F2 P00734 2/20 0.32
KLKB1 P03952 2/20 0.32
PRSS1 P07477 2/20 0.32

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
SCHEMBL5772293 0.88 PLAU (0.73) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775101 0.87 PLAU (0.76) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774158 0.86 PLAU (0.70) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774684 0.85 PLAU (0.48) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774695 0.85 PLAU (0.48) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776011 0.82 PLAU (0.80) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775450 0.82 PLAU (0.80) PLAUPLGPLATKLK1ASIC3
SCHEMBL5773484 0.82 PLAU (0.73) PLAUPLGPLATKLK1ASIC3
SCHEMBL29531162 0.82 PLAU (1.00) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775814 0.82 PLAU (1.00) 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 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