SCHEMBL12018331

SCHEMBL12018331

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.56
SLC6A2 P23975 19/20 0.56
SLC6A3 Q01959 18/20 0.56
CYP2D6 P10635 12/20 0.56
CYP3A4 P08684 11/20 0.56
KCNH2 Q12809 13/20 0.56

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
SCHEMBL12018332 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL12004805 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL4901022 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL3679683 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL3672980 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL3687025 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL3679307 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL4893814 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL3680464 0.88 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL12004356 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220665-A1 Inhibiting Neurotransmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-08-30 US disclosed