SCHEMBL3719829

SCHEMBL3719829

FC(F)(F)c1ccc(O[C@H](c2ccccc2)[C@H]2CCCNC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.86
SLC6A4 P31645 8/20 0.86
SLC6A3 Q01959 7/20 0.60
CYP2D6 P10635 2/20 0.53

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
SCHEMBL13152467 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3715944 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3725938 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3725941 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3719832 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3719834 1.00 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12064479 0.89 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3
SCHEMBL3891610 0.85 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3
SCHEMBL3662366 0.81 SLC6A2 (0.56) SLC6A2SLC6A4
SCHEMBL4240771 0.80 SLC6A2 (0.77) SLC6A2SLC6A4

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
WO-2010120889-A1 TREATMENT OF METABOLIC SYNDROME WITH CYCLIC AMIDES AMPLA PHARMACEUTICALS INC. (US) 2010-10-21 WO disclosed