SCHEMBL5779442

SCHEMBL5779442

CC(=O)N1CCc2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ALK Q9UM73 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 3/20 0.39
HTR1D P28221 1/20 0.39
NAMPT P43490 4/20 0.39
FASN P49327 3/20 0.38
MEN1 O00255 1/20 0.37
KCNK3 O14649 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL5771908 0.86 ESR2 (0.53) SLC6A2SLC6A4SLC6A3MAPTALK
SCHEMBL5777770 0.81 NOTUM (0.45) NOTUMMAPTLCKRETKDR
SCHEMBL5777772 0.81 NOTUM (0.45) NOTUMMAPTLCKRETKDR
SCHEMBL5776251 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL5776166 0.78 PLAU (0.46) NOTUMPLAU
SCHEMBL5776169 0.78 PLAU (0.46) NOTUMPLAU
SCHEMBL5776165 0.78 PLAU (0.46) NOTUMPLAU
SCHEMBL10163702 0.78 NOTUM (0.58) NOTUMMAPTLCKRETKDR
SCHEMBL5778336 0.77 PLAU (0.51) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL2310030 0.75 NOTUM (0.49) NOTUMMAPTLCKRETKDR

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