SCHEMBL11458069

SCHEMBL11458069

FC(F)(F)c1ccc(OC(CC2CCCN2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.53
SLC6A2 P23975 5/20 0.53
SLC6A3 Q01959 4/20 0.53
KCNK2 O95069 2/20 0.53
KCNH2 Q12809 2/20 0.53
CACNA1C Q13936 2/20 0.53
SLC7A5 Q01650 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.50
HRH3 Q9Y5N1 2/20 0.50
NPC1 O15118 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MTOR P42345 2/20 0.50
RAB9A P51151 2/20 0.50
CYP3A4 P08684 2/20 0.50
HTR2C P28335 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL11456914 0.96 LTA4H (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL11466886 0.88 SLC6A9 (0.46) SLC6A9
SCHEMBL11455640 0.87 GHSR (0.50) LTA4H
SCHEMBL11458187 0.86 SLC6A4 (0.47) SLC6A4CHRM3LTA4H
SCHEMBL11458221 0.85 SLC6A9 (0.45) SLC6A4SLC6A2SLC6A3LMNADRD2
SCHEMBL11449386 0.85 GHSR (0.39) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL11447703 0.84 GHSR (0.47) SLC6A4SLC6A2SLC6A3LTA4HSLC6A9
SCHEMBL11466860 0.84 GHSR (0.52) SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL11448946 0.83 LTA4H (0.51) LTA4H
SCHEMBL11455787 0.83 LTA4H (0.51) SLC6A4LTA4H

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