SCHEMBL3677121

SCHEMBL3677121

CC(C)C(O)C(CN(C)C)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3679191 1.00 AOC3 (0.48) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3682388 1.00 AOC3 (0.48) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3675707 1.00 AOC3 (0.48) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3685664 1.00 AOC3 (0.48) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8111897 0.84 SLC6A2 (0.57) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3671134 0.81 ALDH1A1 (0.46) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3683855 0.81 ALDH1A1 (0.46) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3681304 0.81 ALDH1A1 (0.46) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5164702 0.81 ALDH1A1 (0.46) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3673024 0.81 ALDH1A1 (0.46) AOC3ALDH1A1CYP1A2CYP2C9CYP2C19

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
US-20100168246-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2010-07-01 US claimed
US-20070197662-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2007-08-23 US claimed
EP-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP claimed
US-20040143022-A1 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-07-22 US claimed
EP-1414425-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2004-05-06 EP claimed
US-20030027869-A1 Amine compounds and inhibiting neurotransmitter reuptake VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2003-02-06 US claimed
WO-2003007929-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2003-01-30 WO claimed
US-20100168246-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2010-07-01 US disclosed
US-20080275272-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2008-11-06 US disclosed
US-20070197662-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2007-08-23 US disclosed
US-7214826-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-05-08 US disclosed
EP-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP disclosed
US-20050215647-A1 Amine compounds and inhibiting neurotransmitter reuptake Mayo Foundation for Medical Education and Research and Virginia Tech Intellectual Properties, Inc. 2005-09-29 US disclosed
US-6914080-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-07-05 US disclosed
US-20040143022-A1 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-07-22 US disclosed
EP-1414425-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2004-05-06 EP disclosed
US-6700018-B2 3-HYDROXY-2-(2-NAPHTHYL)PENTYLAMINE DERIVATIVES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-03-02 US disclosed
US-20030027869-A1 Amine compounds and inhibiting neurotransmitter reuptake VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2003-02-06 US disclosed
WO-2003007929-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2003-01-30 WO disclosed