SCHEMBL12018306

SCHEMBL12018306

CN(C)C[C@H](c1ccc2ccccc2c1)[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.82
SLC6A4 P31645 20/20 0.82
SLC6A3 Q01959 20/20 0.82
KCNH2 Q12809 8/20 0.82
CYP3A4 P08684 9/20 0.63
CYP2D6 P10635 9/20 0.63

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
SCHEMBL12018305 1.00 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL12018309 1.00 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL12018303 1.00 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL12018308 1.00 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3679703 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3682070 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3675579 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3678260 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL13283370 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3681883 0.90 SLC6A2 (1.00) 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 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