SCHEMBL5778721

SCHEMBL5778721

CC1NCCc2ccc(C3CC3c3ccc4cc(C#N)ccc4c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
PLAU P00749 4/20 0.40
MAOA P21397 4/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
DRD4 P21917 1/20 0.39
PNMT P11086 1/20 0.36
PLG P00747 2/20 0.36
PLAT P00750 2/20 0.36
KLK1 P06870 2/20 0.36
KDM1A O60341 1/20 0.35
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5774767 0.86 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3PLAUDRD2
SCHEMBL28940450 0.82 MAOA (0.51) MAOADRD2DRD3TSHRHSD17B10
SCHEMBL5774652 0.79 PLAU (0.64) SLC6A2SLC6A4SLC6A3PLAUMAOA
SCHEMBL5776360 0.74 PLAU (0.66) SLC6A2SLC6A4SLC6A3PLAUDRD2
SCHEMBL5779436 0.73 PLAU (0.52) SLC6A2SLC6A4SLC6A3PLAUDRD2
SCHEMBL29676858 0.73 MAOA (0.51) MAOADRD2DRD3TSHRHSD17B10
SCHEMBL18766210 0.73 MAOA (0.51) MAOADRD2DRD3TSHRHSD17B10
SCHEMBL5776714 0.73 PLAU (0.46) SLC6A2SLC6A4SLC6A3PLAUDRD2
SCHEMBL5776998 0.72 PLAU (0.50) SLC6A2SLC6A4SLC6A3PLAUDRD2
SCHEMBL5779420 0.71 PLAU (0.44) SLC6A2SLC6A4SLC6A3PLAUDRD2

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