SCHEMBL11458221

SCHEMBL11458221

FC(F)(F)c1cccc(OC(CC2CCCCN2)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
LTA4H P09960 4/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SCN9A Q15858 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL11466886 0.97 SLC6A9 (0.46) SLC6A9PPARGPPARA
SCHEMBL11456914 0.89 LTA4H (0.54) SLC6A9LTA4HDRD2ALDH1A1LMNA
SCHEMBL11448946 0.86 LTA4H (0.51) LTA4H
SCHEMBL11458069 0.85 SLC6A4 (0.53) SLC6A9LTA4HDRD2ALDH1A1LMNA
SCHEMBL11466698 0.85 SLC6A4 (0.50) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL11449145 0.84 LTA4H (0.40) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL11457674 0.83 CHRNB4 (0.55) LTA4H
SCHEMBL11466699 0.83 LTA4H (0.44) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL11449383 0.83 GHSR (0.48) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL11466863 0.83 GHSR (0.53) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 EP disclosed