SCHEMBL4064436

SCHEMBL4064436

CNCC/C=C/c1cncc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.74
CHRNA4 P43681 3/20 0.74
CHRNB4 P30926 2/20 0.74
CHRNA3 P32297 2/20 0.74
CHRNA7 P36544 2/20 0.74
CYP2C9 P11712 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
ROCK2 O75116 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKACA P17612 1/20 0.53
ROCK1 Q13464 1/20 0.53
DYRK1A Q13627 1/20 0.53
NTRK3 Q16288 1/20 0.53
PKN2 Q16513 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53

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
SCHEMBL621160 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL194810 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30529817 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6256054 0.84 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6659993 0.82 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL619895 0.82 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL619894 0.82 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8675780 0.81 MKNK2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6264095 0.81 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4959044 0.81 MKNK2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3899126-B2 2007-03-28 JP claimed
EP-0873050-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS TARGACEPT INC (US) 2004-03-10 EP claimed
JP-2001520628-A 2001-10-30 JP claimed
EP-0801527-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS REYNOLDS TOBACCO CO R (US) 2001-09-05 EP claimed
US-6107298-A ADMINISTERING AN AMINE SUBSTITUTED PYRIMIDINE OR PYRIDINE COMPOUND BENCHERIF MEROUANE (US) 2000-08-22 US claimed
EP-0873050-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS REYNOLDS TOBACCO CO R (US) 1999-09-22 EP claimed
US-5885998-A ADMINISTERING AN EFFECTIVE AMOUNT OF AN ARYL SUBSISTITUTED ALIPHATIC COMPOUND, AN ARYL SUBSTITUTED OLEFINIC AMINE COMPOUND OR AN ARYL SUBSTITUTED ACETYLENIC COMPOUND SUCH AS 4-(5-PYRIMIDINYL)-3-BUTENE-1-AMINE TARGACEPT, INC., A CORPORATION OF DELAWARE 1999-03-23 US claimed
EP-0873050-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-10-28 EP claimed
US-5824692-A AMINOPYRIDINE, AMINOPYRIMIDINE DERIVATIVES TARGACEPT, INC. 1998-10-20 US claimed
US-5731314-A ADMINISTERING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS OR ARYL SUBSTITUTED ACETYLENIC AMINE COMPOUNDS TO A PATIENT TARGACEPT, INC., A CORPORATION OF DELAWARE 1998-03-24 US claimed
EP-0801527-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-22 EP claimed
US-5604231-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS, DOPAMINERGIC AGENTS; SIDE EFFECT REDUCTION TARGACEPT, INC. 1997-02-18 US claimed
US-5597919-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RESULTING FROM NEUROTRANSMITTER DYSFUNCTION TARGACEPT, INC., A CORPORATION OF DELAWARE 1997-01-28 US claimed
WO-1996020600-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO claimed
WO-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO claimed
EP-0900200-B9 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-10-21 EP disclosed
EP-1997806-A1 Pahrmaceutical compositions for prevention and treatment of central nervous system disorders Targacept, Inc. (US) 2008-12-03 EP disclosed
WO-1996020929-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020600-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed