SCHEMBL6558937

SCHEMBL6558937

NCC/C=C/c1cncc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
AKT1 P31749 5/20 0.36
DYRK3 O43781 2/20 0.36
ROCK2 O75116 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PIM1 P11309 2/20 0.36
PRKACA P17612 2/20 0.36
CLK2 P49760 2/20 0.36
PRKX P51817 2/20 0.36
ROCK1 Q13464 2/20 0.36
DYRK1A Q13627 2/20 0.36
PRKG1 Q13976 2/20 0.36
PKN2 Q16513 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36

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
SCHEMBL6559282 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7294486 0.79 AKT1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7294493 0.79 AKT1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5701203 0.78 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7293345 0.78 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7293349 0.78 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8016620 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5328710 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5328723 0.75 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4959044 0.75 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973743-B1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS TARGACEPT INC (US) 2004-08-25 EP disclosed
EP-0873050-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS TARGACEPT INC (US) 2004-03-10 EP disclosed
US-6531606-B1 Nicotinic compound: N-methyl-4-(3-(5-phenylpyridin)yl)-3-buten-1-amine; capable of affecting nicotinic chlorinergic receptors TARGACEPT, INC. 2003-03-11 US disclosed
US-6274606-B1 ADMINISTERING COMPOUNDS SUCH AS (E)-N-METHYL-4-(3-(5-ISO PROPOXYPYRIDIN)YL)-3-BUTEN-1-AMINE TO TREAT PARKINSON'S DISEASE, TOURETTE'S SYNDROME, ATTENTION DEFICIT DISORDER, SCHIZOPHRENIA, AND ALZHEIMER'S DISEASE TARGACEPT, INC. 2001-08-14 US disclosed
US-6107298-A ADMINISTERING AN AMINE SUBSTITUTED PYRIMIDINE OR PYRIDINE COMPOUND BENCHERIF MEROUANE (US) 2000-08-22 US disclosed
EP-0973743-A1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-01-26 EP disclosed
EP-0873050-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS REYNOLDS TOBACCO CO R (US) 1999-09-22 EP disclosed
EP-0873050-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-10-28 EP disclosed
WO-1998037071-A1 PHARMACEUTICAL COMPOSITIONS INCORPORATING ARYL SUBSTITUTED OLEFINIC AMINE COMPOUNDS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-08-27 WO disclosed
EP-0801646-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS REYNOLDS TOBACCO CO R (US) 1998-03-25 EP disclosed
EP-0801646-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-22 EP disclosed
US-5616707-A N-METHYL-4-PYRIDYL-3-BUT(ENE OR YNE)-1-AMINE TARGACEPT, INC. 1997-04-01 US disclosed
US-5604231-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS, DOPAMINERGIC AGENTS; SIDE EFFECT REDUCTION TARGACEPT, INC. 1997-02-18 US disclosed
US-5597919-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RESULTING FROM NEUROTRANSMITTER DYSFUNCTION TARGACEPT, INC., A CORPORATION OF DELAWARE 1997-01-28 US 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-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed