SCHEMBL3734186

SCHEMBL3734186

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.64
SLC6A4 P31645 19/20 0.64
SLC6A3 Q01959 19/20 0.64
KCNH2 Q12809 9/20 0.64
CYP2D6 P10635 7/20 0.51
CYP3A4 P08684 5/20 0.51
AOC3 Q16853 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
SCHEMBL1898531 1.00 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3800525 1.00 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL14739059 1.00 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455353 0.89 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16114436 0.84 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16113863 0.84 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16113865 0.84 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16114437 0.84 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16113866 0.84 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16113782 0.84 SLC6A2 (0.75) 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