SCHEMBL5771876

SCHEMBL5771876

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.40
DRD3 P35462 9/20 0.40
ASIC3 Q9UHC3 1/20 0.40
CYP2D6 P10635 5/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 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
SCHEMBL5771882 1.00 DRD2 (0.40) DRD2DRD3ASIC3CYP2D6DPP4
SCHEMBL5776935 0.90 ASIC3 (0.41) DRD2DRD3ASIC3CYP2D6DPP4
SCHEMBL5776937 0.90 ASIC3 (0.41) DRD2DRD3ASIC3CYP2D6DPP4
SCHEMBL5779090 0.83 ASIC3 (0.52) ASIC3
SCHEMBL5779092 0.83 ASIC3 (0.52) ASIC3
SCHEMBL5777233 0.82 ASIC3 (0.54) DRD2DRD3ASIC3HTR1D
SCHEMBL5777231 0.82 ASIC3 (0.54) DRD2DRD3ASIC3HTR1D
SCHEMBL5774074 0.78 DRD2 (0.40) DRD2DRD3
SCHEMBL5774075 0.78 DRD2 (0.40) DRD2DRD3
SCHEMBL5778278 0.77 MAPT (0.45) DRD2DRD3CYP2D6HTR1D

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