SCHEMBL5776935

SCHEMBL5776935

CC(=O)N1CCc2ccc(/C=C/c3ccc4cc(C#N)ccc4c3)cc2C1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.41
DRD2 P14416 12/20 0.37
DRD3 P35462 11/20 0.37
CYP2D6 P10635 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CCR2 P41597 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34
HSD17B3 P37058 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
NPY2R P49146 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 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
SCHEMBL5776937 1.00 ASIC3 (0.41) ASIC3DRD2DRD3CYP2D6MTNR1A
SCHEMBL5771876 0.90 DRD2 (0.40) ASIC3DRD2DRD3CYP2D6CCR2
SCHEMBL5771882 0.90 DRD2 (0.40) ASIC3DRD2DRD3CYP2D6CCR2
SCHEMBL5777231 0.85 ASIC3 (0.54) ASIC3DRD2DRD3HTR1DPLG
SCHEMBL5777233 0.85 ASIC3 (0.54) ASIC3DRD2DRD3HTR1DPLG
SCHEMBL5778336 0.83 PLAU (0.51) ASIC3DRD2DRD3CYP2D6MTNR1A
SCHEMBL5774075 0.76 DRD2 (0.40) DRD2DRD3
SCHEMBL5774074 0.76 DRD2 (0.40) DRD2DRD3
SCHEMBL5777772 0.75 NOTUM (0.45) DRD2DRD3HTR1DHTR1B
SCHEMBL5777770 0.75 NOTUM (0.45) DRD2DRD3HTR1DHTR1B

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 3 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
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