SCHEMBL3732482

SCHEMBL3732482

CN(C)CC(c1ccc2ccccc2c1)C(O)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 1.00
SLC6A4 P31645 16/20 1.00
SLC6A3 Q01959 16/20 1.00
KCNH2 Q12809 8/20 0.60
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 5/20 0.53
AOC3 Q16853 1/20 0.47
UGT2B7 P16662 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
SCHEMBL14115686 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL5001133 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL5001368 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL4996344 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL4992412 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL5001159 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL5000948 0.99 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL4963593 0.83 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4994288 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL20052838 0.81 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200556-A1 Amine Compounds And Inhibiting Neurotrasmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-08-21 US claimed
EP-1791806-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2008-02-20 EP claimed
EP-1791806-A2 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-06-06 EP claimed
WO-2005120200-A2 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-12-22 WO claimed
US-8507500-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-08-13 US disclosed
US-8440724-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-14 US disclosed
US-20130059864-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-03-07 US disclosed
US-20100280127-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-11-04 US disclosed
US-20080200556-A1 Amine Compounds And Inhibiting Neurotrasmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-08-21 US disclosed
US-20080200556-A1 Amine Compounds And Inhibiting Neurotrasmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-08-21 US disclosed
EP-1791806-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2008-02-20 EP disclosed
EP-1791806-A2 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-06-06 EP disclosed
WO-2005120200-A2 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-12-22 WO disclosed