SCHEMBL5701133

SCHEMBL5701133

CNCCC/C=C/c1cccnc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.82
CHRNA4 P43681 5/20 0.82
CHRNB4 P30926 2/20 0.82
CHRNA3 P32297 2/20 0.82
CHRNA7 P36544 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2C9 P11712 1/20 0.82
ALOX15 P16050 1/20 0.82
CYP2C19 P33261 1/20 0.82
TBXAS1 P24557 1/20 0.57
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
JUN P05412 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL7743553 1.00 CHRNB2 (0.82) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5701137 1.00 CHRNB2 (0.82) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL120435 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL29379231 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL7743987 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL29423002 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL120434 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL6260928 0.82 CHRNB2 (0.83) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Rivanicline SCHEMBL29615748 0.82 CHRNB2 (0.83) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7520275 0.82 CHRNB2 (0.64) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801527-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2006-07-26 EP disclosed
EP-1011672-B1 USE OF (E)-METANICOTINE DERIVATIVES FOR ELICITING ANALGESIC EFFECTS UNIV VIRGINIA COMMONWEALTH (US) 2005-10-19 EP disclosed
EP-0873050-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS TARGACEPT INC (US) 2004-03-10 EP disclosed
EP-0801527-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS REYNOLDS TOBACCO CO R (US) 2001-09-05 EP disclosed
US-6107298-A ADMINISTERING AN AMINE SUBSTITUTED PYRIMIDINE OR PYRIDINE COMPOUND BENCHERIF MEROUANE (US) 2000-08-22 US disclosed
EP-0873050-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS REYNOLDS TOBACCO CO R (US) 1999-09-22 EP disclosed
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 disclosed
EP-0873050-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1998-10-28 EP disclosed
US-5824692-A AMINOPYRIDINE, AMINOPYRIMIDINE DERIVATIVES TARGACEPT, INC. 1998-10-20 US 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
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 disclosed
US-5726316-A PYRIDINYL DERIVATIVES WITH 3-BUTENE-1-AMINE TARGACEPT, INC. 1998-03-10 US 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
EP-0801527-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
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