SCHEMBL3746909

SCHEMBL3746909

CNC[C@H](c1ccc2ccccc2c1)[C@H](OC(C)=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.70
SLC6A4 P31645 20/20 0.70
SLC6A3 Q01959 20/20 0.70
KCNH2 Q12809 16/20 0.70
CYP2D6 P10635 14/20 0.70
CYP3A4 P08684 7/20 0.70

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
SCHEMBL3796650 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3664315 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1896068 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3665198 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455369 0.84 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455205 0.84 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14738660 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14739077 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3744776 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3669010 0.83 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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