SCHEMBL6251446

SCHEMBL6251446

CN[C@@H](C)COCc1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.42
TACR1 P25103 7/20 0.40
MAOB P27338 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 2/20 0.40
SLC18A2 Q05940 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP19A1 P11511 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL6253341 1.00 ADRB2 (0.42) ADRB2TACR1MAOBTAAR1MAOA
SCHEMBL6252747 1.00 ADRB2 (0.42) ADRB2TACR1MAOBTAAR1MAOA
SCHEMBL7555552 0.85 MAOB (0.45) ADRB2MAOBTAAR1MAOASLC18A2
SCHEMBL7600364 0.83 TACR1 (0.46) TACR1MAOBTAAR1MAOASIGMAR1
SCHEMBL8015011 0.81 ADRB2 (0.38) ADRB2TACR1MAOBMAOACYP19A1
SCHEMBL6255049 0.81 ADRB2 (0.44) ADRB2TACR1MAOBMAOACYP19A1
SCHEMBL6252491 0.81 ADRB2 (0.44) ADRB2TACR1MAOBMAOACYP19A1
SCHEMBL21444695 0.80 TAAR1 (0.57) TACR1TAAR1SLC18A2SIGMAR1
SCHEMBL25666197 0.80 TAAR1 (0.57) TACR1TAAR1SLC18A2SIGMAR1
SCHEMBL9507193 0.79 MAOB (0.41) ADRB2TACR1MAOBMAOACYP19A1

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