SCHEMBL5701203

SCHEMBL5701203

CNCC/C=C/c1cncc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.61
CHRNA4 P43681 4/20 0.61
CHRNB4 P30926 2/20 0.61
CHRNA3 P32297 2/20 0.61
CHRNA7 P36544 2/20 0.61
CYP2C19 P33261 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
AKT1 P31749 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 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
SCHEMBL5701058 0.81 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6264095 0.81 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7765097 0.81 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4064436 0.78 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4959408 0.78 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6558937 0.78 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5330582 0.78 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5330590 0.78 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8016620 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7224789 0.76 CHRNB2 (0.58) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726316-A PYRIDINYL DERIVATIVES WITH 3-BUTENE-1-AMINE TARGACEPT, INC. 1998-03-10 US claimed
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
EP-1011672-A4 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS UNIV VIRGINIA COMMONWEALTH (US) 2001-04-04 EP disclosed
US-6117891-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF A PYRIDINE-OR PYRIMIDINE-SUBSTITUTED OLEFIN VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-09-12 US disclosed
US-6107298-A ADMINISTERING AN AMINE SUBSTITUTED PYRIMIDINE OR PYRIDINE COMPOUND BENCHERIF MEROUANE (US) 2000-08-22 US disclosed
EP-1011672-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-06-28 EP disclosed
EP-0873050-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS REYNOLDS TOBACCO CO R (US) 1999-09-22 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-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