SCHEMBL6252963

SCHEMBL6252963

CN1CCC[C@H]1COCc1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.58
CHRNA4 P43681 2/20 0.58
CHRNB4 P30926 5/20 0.53
CHRNA3 P32297 5/20 0.53
CHRNB1 P11230 2/20 0.53
CHRNB3 Q05901 2/20 0.53
CHRM3 P20309 2/20 0.48
JAK2 O60674 1/20 0.45

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
SCHEMBL6252580 1.00 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL6251709 0.92 CHRNB4 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL6254572 0.92 CHRNB4 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL14502963 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL22110284 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL521397 0.80 CHRNB4 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
Acetic Acid SCHEMBL28061843 0.77 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL7544763 0.76 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL9506165 0.75 MAOB (0.40)
SCHEMBL2653097 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1

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 10 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-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
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