SCHEMBL3676429

SCHEMBL3676429

CNCC(c1cccc2ccccc12)C(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.44
SLC6A2 P23975 13/20 0.43
SLC6A3 Q01959 12/20 0.43
KCNH2 Q12809 7/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 6/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASR P41180 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
SCHEMBL3679042 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3673223 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3687029 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3677497 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3677010 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3679421 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3676708 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3671168 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3678546 0.84 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3682599 0.82 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3ALDH1A1CYP1A2

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-7214826-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-05-08 US claimed
EP-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP claimed
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 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