SCHEMBL365733

SCHEMBL365733

CCC(N)CC=Cc1cncc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.50
PRKACA P17612 5/20 0.50
ROCK1 Q13464 5/20 0.50
DYRK1A Q13627 5/20 0.50
MAP4K4 O95819 4/20 0.50
PKN2 Q16513 4/20 0.50
CLK4 Q9HAZ1 4/20 0.50
MKNK2 Q9HBH9 4/20 0.50
STK17A Q9UEE5 4/20 0.50
NTRK3 Q16288 1/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
AKT1 P31749 12/20 0.40
PIM1 P11309 4/20 0.38
PRKCD Q05655 3/20 0.38
RPS6KB1 P23443 3/20 0.38
CHUK O15111 2/20 0.38

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
SCHEMBL3960211 1.00 ROCK2 (0.50) ROCK2PRKACAROCK1DYRK1AMAP4K4
Phosphoric Acid SCHEMBL3956343 0.92 ROCK2 (0.44) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL4242133 0.87 CHRNB2 (0.58) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL4242134 0.87 CHRNB2 (0.58) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL4247313 0.86 CHRNB2 (0.66) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL1691835 0.86 CHRNB2 (0.66) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL3838406 0.85 CHRNB2 (0.53) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL7071079 0.83 ROCK2 (0.50) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL7071081 0.83 ROCK2 (0.50) ROCK2PRKACAROCK1DYRK1AMAP4K4
SCHEMBL7529713 0.82 CHRNB2 (0.41) ROCK2PRKACAROCK1DYRK1AMAP4K4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO claimed
CN-103180277-A New process for the preparation of aryl substituted olefinic amines TARGACEPT INC 2013-06-26 CN disclosed
EP-2574188-A1 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES Targacept, Inc. (US) 2013-04-03 EP disclosed
WO-2011146009-A8 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES ASTRAZENECA AB (SE) 2012-01-19 WO disclosed
WO-2011146009-A1 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES TARGACEPT INC. (SE) 2011-11-24 WO disclosed
EP-2112923-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS Targacept Inc. (US) 2009-11-04 EP disclosed
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO disclosed
WO-2008091588-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS TARGACEPT, INC. (US) 2008-07-31 WO disclosed
WO-2008091592-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS TARGACEPT, INC. (US) 2008-07-31 WO disclosed
EP-1814852-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
WO-2006053082-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed