SCHEMBL5777574

SCHEMBL5777574

CCC1CN(C)Cc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 4/20 0.46
HRH3 Q9Y5N1 2/20 0.36
PLAU P00749 4/20 0.35
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
KDM2B Q8NHM5 2/20 0.34
PLG P00747 2/20 0.33
PLAT P00750 2/20 0.33
KLK1 P06870 2/20 0.33

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
SCHEMBL5776251 0.85 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3KDM2B
SCHEMBL5779179 0.85 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3KDM2B
SCHEMBL5775943 0.83 DRD2 (0.46) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL7083279 0.80 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3DRD2KDM2B
SCHEMBL5776839 0.79 PLAU (0.58) PLAUPLGPLATKLK1
SCHEMBL5776714 0.73 PLAU (0.46) SLC6A4SLC6A2SLC6A3PLAUDRD2
SCHEMBL5774652 0.73 PLAU (0.64) SLC6A4SLC6A2SLC6A3PLAUDRD2
SCHEMBL5776360 0.70 PLAU (0.66) SLC6A4SLC6A2SLC6A3PLAUDRD2
SCHEMBL5776998 0.70 PLAU (0.50) SLC6A4SLC6A2SLC6A3HRH3PLAU
SCHEMBL5778721 0.70 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3PLAUDRD2

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