SCHEMBL5773201

SCHEMBL5773201

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 6/20 0.42
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40
ASIC3 Q9UHC3 1/20 0.33
ABCB1 P08183 4/20 0.32
KCNH2 Q12809 2/20 0.31
HTR3A P46098 1/20 0.31
GRIA2 P42262 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
SCHEMBL5776981 0.81 PLAU (0.64) PLGPLAUPLATKLK1ASIC3
SCHEMBL5776360 0.77 PLAU (0.66) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5776998 0.73 PLAU (0.50) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5777436 0.72 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5777688 0.70 PLAU (0.52) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5778140 0.70 PLAU (0.50) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5779436 0.70 PLAU (0.52) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5777909 0.68 PLAU (0.47) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5775015 0.68 PLAU (0.47) SLC6A4SLC6A2SLC6A3PLGPLAU
SCHEMBL5776714 0.67 PLAU (0.46) SLC6A4SLC6A2SLC6A3PLGPLAU

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