SCHEMBL4247313

SCHEMBL4247313

CCC(N)C/C=C/c1cncc(OC(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
AKT1 P31749 14/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
ROCK2 O75116 5/20 0.36
PRKACA P17612 5/20 0.36
ROCK1 Q13464 5/20 0.36
DYRK1A Q13627 5/20 0.36
PIM1 P11309 4/20 0.36
PRKCD Q05655 3/20 0.36
RPS6KB1 P23443 3/20 0.36
CHUK O15111 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
AKT2 P31751 1/20 0.36
CSNK1D P48730 1/20 0.36
MAP4K4 O95819 4/20 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
SCHEMBL1691835 1.00 CHRNB2 (0.66) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2170239 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2170794 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2170244 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL621421 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL621422 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2168872 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2168879 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL2169514 0.87 CHRNB2 (0.71) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL365733 0.86 ROCK2 (0.50) CHRNB2CHRNA4AKT1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4240815-B2 2009-03-18 JP claimed
JP-2002518373-A 2002-06-25 JP claimed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP claimed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO claimed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP disclosed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
EP-1317267-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE Targacept, Inc. (US) 2003-06-11 EP disclosed
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2002005801-A2 COMPOSITIONS CONTAINING DIACYLTARTARIC SALTS OF (E)-METANICOTINE TARGACEPT, INC. (US) 2002-01-24 WO disclosed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO disclosed
EP-1102588-A1 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2001-05-30 EP disclosed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed
WO-2000007600-A1 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-02-17 WO disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO disclosed