SCHEMBL6253103

SCHEMBL6253103

CN[C@@H](C)C/C=C/c1cccc(N)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
CYP19A1 P11511 5/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HTR2A P28223 3/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 3/20 0.37
KDM1A O60341 1/20 0.35

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
SCHEMBL6253231 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CYP19A1MAOAMAOB
SCHEMBL6253226 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CYP19A1MAOAMAOB
SCHEMBL6255110 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CYP19A1MAOAMAOB
SCHEMBL6253108 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CYP19A1MAOAMAOB
SCHEMBL6255116 1.00 CHRNB2 (0.56) CHRNB2CHRNA4CYP19A1MAOAMAOB
SCHEMBL8006130 0.82 HTR2A (0.66) CYP19A1MAOAMAOBHTR2ANPC1
SCHEMBL7546224 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL7546212 0.81 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL6258006 0.81 CYP19A1 (0.50) CYP19A1MAOAMAOBHTR2ANPC1
SCHEMBL6258001 0.81 CYP19A1 (0.50) CYP19A1MAOAMAOBHTR2ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171127-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT INC (US) 2005-09-14 EP disclosed
US-6489349-B1 TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE TARGACEPT, INC. 2002-12-03 US disclosed
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-6337351-B1 AROMATIC OLEFIN AMINES TARGACEPT, INC. 2002-01-08 US disclosed
US-6310102-B1 OXY OR HYDROXY OR NITRO SUBSTITUTED PHENYLALKYLENE AMINE DERIVATIVE USED FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER CHARACTERIZED BY AN ALTERATION IN NORMAL NEUROTRANSMITTER RELEASE TARGACEPT, INC. 2001-10-30 US disclosed
US-6262124-B1 FOR ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS, FOR EXAMPLE, AS AGONISTS OF SPECIFIC NICOTINIC RECEPTOR SUBTYPES; FOR THERAPY OF DYSFUNCTION OF THE CENTRAL AND AUTONOMIC NERVOUS SYSTEMS TARGACEPT, INC., A CORPORATION OF DELAWARE 2001-07-17 US disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed