SCHEMBL3676939

SCHEMBL3676939

NCC(c1cccc2ccccc12)C(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.59
SLC6A2 P23975 10/20 0.59
SLC6A3 Q01959 10/20 0.59
KCNH2 Q12809 4/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
NR2E1 Q9Y466 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ACP3 P15309 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3678998 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL4900483 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3683938 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3680320 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL12004356 0.87 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3680464 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL4893814 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3678261 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3679705 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3682071 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6069177-A ADMINISTERING TO THE HUMAN AN EFFECTIVE ANTIDEPRESSANT DOSE OF THE COMPOUND 3-HYDROXY-4,4-DIMETHYL-2-(2'-NAPHTHYL)PENTYL-N,N-DIMETHYLAMINE OR SALT THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2000-05-30 US 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