SCHEMBL5777436

SCHEMBL5777436

CCC1(CC)CN=C(C(C)C)c2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
PLAU P00749 4/20 0.39
PLG P00747 2/20 0.39
PLAT P00750 2/20 0.39
KLK1 P06870 2/20 0.39
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL5780124 0.84 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3
SCHEMBL5780127 0.84 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3
SCHEMBL5777352 0.81 PLAU (0.63) PLAUPLGPLATKLK1
SCHEMBL5778208 0.76 PLAU (0.65) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5776089 0.76 PLAU (0.65) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5773994 0.76 PLAU (0.65) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5774895 0.76 PLAU (0.65) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5773201 0.72 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5777379 0.67 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3PLAUPLG
SCHEMBL5771966 0.67 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3PLAUPLG

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