SCHEMBL5776957

SCHEMBL5776957

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

nearest known ligand 0.51

Predicted protein targets (top 9)

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 0.40
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.32
BTK Q06187 1/20 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
SCHEMBL5776966 1.00 PLAU (0.51) PLAUPLGPLATKLK1ASIC3
SCHEMBL5777355 0.90 PLAU (0.53) PLAUPLGPLATKLK1ASIC3
SCHEMBL5778981 0.89 PLAU (0.51) PLAUPLGPLATKLK1ASIC3
SCHEMBL5778991 0.89 PLAU (0.51) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774695 0.88 PLAU (0.48) PLAUPLGPLATKLK1ASIC3
SCHEMBL5774684 0.88 PLAU (0.48) PLAUPLGPLATKLK1ASIC3
SCHEMBL5778869 0.85 PLAU (0.55) PLAUPLGPLATKLK1ASIC3
SCHEMBL5775560 0.85 PLAU (0.55) PLAUPLGPLATKLK1ASIC3
SCHEMBL5776360 0.85 PLAU (0.66) PLAUPLGPLATKLK1ASIC3
SCHEMBL5772293 0.84 PLAU (0.73) 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