SCHEMBL5779420

SCHEMBL5779420

CC1c2cc(C3CC3c3ccc4cc(C#N)ccc4c3)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.44
DRD2 P14416 1/20 0.39
AR P10275 1/20 0.39
NR1H2 P55055 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GPR119 Q8TDV5 4/20 0.38
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
KLK1 P06870 2/20 0.37
KDM2B Q8NHM5 4/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL5774075 0.84 DRD2 (0.40) DRD2ARNR1H2GPR119KDM2B
SCHEMBL5774074 0.84 DRD2 (0.40) DRD2ARNR1H2GPR119KDM2B
SCHEMBL5771908 0.81 ESR2 (0.53) DRD2NR1H2SLC6A2SLC6A4SLC6A3
SCHEMBL29676890 0.80 DRD2 (0.46) DRD2ARNR1H2GPR119
SCHEMBL18793347 0.80 DRD2 (0.46) DRD2ARNR1H2GPR119
SCHEMBL5774652 0.79 PLAU (0.64) PLAUDRD2SLC6A2SLC6A4SLC6A3
SCHEMBL5778336 0.77 PLAU (0.51) PLAUDRD2SLC6A2SLC6A4SLC6A3
SCHEMBL7083279 0.76 SLC6A2 (0.38) DRD2ARNR1H2SLC6A2SLC6A4
SCHEMBL29098023 0.76 GPR119 (0.41) DRD2GPR119
SCHEMBL30199408 0.76 GPR119 (0.41) DRD2GPR119

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