SCHEMBL365734

SCHEMBL365734

COc1cncc(C(C)=CCC(C)N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKACA P17612 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
NTRK3 Q16288 1/20 0.34
PKN2 Q16513 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
STK17A Q9UEE5 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL1691836 0.87 CHRNB2 (0.41) CYP11B1CYP11B2
SCHEMBL7071083 0.87 MKNK2 (0.35) MKNK2MKNK1ROCK2MAP4K4PRKACA
SCHEMBL4242135 0.86 CHRNB2 (0.36) CYP11B1CYP11B2
SCHEMBL5196858 0.81 LTA4H (0.40)
SCHEMBL7529716 0.81 KDM4E (0.40) HTR2AHTR2CHTR2B
SCHEMBL5196868 0.80 LNPEP (0.37) MAP4K4
SCHEMBL6453865 0.79 KDM4E (0.44) CYP1A2CYP3A4
SCHEMBL5406058 0.79 MKNK2 (0.38) MKNK2MKNK1ROCK2MAP4K4PRKACA
SCHEMBL3956347 0.79 MKNK1 (0.33) MKNK2MKNK1
SCHEMBL7519261 0.78 TAAR1 (0.50) TAAR1

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