SCHEMBL3678261

SCHEMBL3678261

CN(C)C[C@@H](c1cccc2ccccc12)[C@@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.62
SLC6A2 P23975 11/20 0.62
SLC6A3 Q01959 10/20 0.62
KCNH2 Q12809 3/20 0.59
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
AOC3 Q16853 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7085935 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3681885 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3682071 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3675580 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3679705 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL3675707 0.81 AOC3 (0.48) SLC6A4SLC6A2SLC6A3KCNH2AOC3
SCHEMBL3679191 0.81 AOC3 (0.48) SLC6A4SLC6A2SLC6A3KCNH2AOC3
SCHEMBL3685664 0.81 AOC3 (0.48) SLC6A4SLC6A2SLC6A3KCNH2AOC3
SCHEMBL3682388 0.81 AOC3 (0.48) SLC6A4SLC6A2SLC6A3KCNH2AOC3
SCHEMBL3677121 0.81 AOC3 (0.48) SLC6A4SLC6A2SLC6A3KCNH2AOC3

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-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP 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
EP-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP disclosed
US-6914080-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-07-05 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