SCHEMBL5774300

SCHEMBL5774300

CC(C)(C)OC(=O)N1CCc2cc(/C=C/c3ccc4cc(C#N)ccc4c3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.55
HDAC1 Q13547 1/20 0.50
NR1H2 P55055 1/20 0.49
GPR119 Q8TDV5 4/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.40
DRD2 P14416 2/20 0.40
ABHD6 Q9BV23 1/20 0.39
NAMPT P43490 1/20 0.38
ESR1 P03372 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HTR1D P28221 1/20 0.37
DRD3 P35462 1/20 0.37
RIPK1 Q13546 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 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
SCHEMBL5774304 1.00 ESR2 (0.55) ESR2HDAC1NR1H2GPR119MAPT
SCHEMBL5778274 0.89 MAPT (0.45) ESR2HDAC1MAPTDRD2ABHD6
SCHEMBL5778278 0.89 MAPT (0.45) ESR2HDAC1MAPTDRD2ABHD6
SCHEMBL30548176 0.86 ESR2 (0.69) ESR2HDAC1NR1H2GPR119MAPT
SCHEMBL451998 0.86 ESR2 (0.69) ESR2HDAC1NR1H2GPR119MAPT
SCHEMBL5777770 0.86 NOTUM (0.45) ESR2MAPTDRD2NAMPTESR1
SCHEMBL5777772 0.86 NOTUM (0.45) ESR2MAPTDRD2NAMPTESR1
SCHEMBL5771908 0.83 ESR2 (0.53) ESR2NR1H2GPR119MAPTMAPK1
SCHEMBL29586616 0.82 NR1H2 (0.67) ESR2HDAC1NR1H2GPR119MAPT
SCHEMBL2416879 0.82 NR1H2 (0.67) ESR2HDAC1NR1H2GPR119MAPT

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