SCHEMBL11449145

SCHEMBL11449145

FC(F)(F)Sc1cccc(OC(CC2CCCCN2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
GHSR Q92847 2/20 0.40
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11450652 0.89 LTA4H (0.41) LTA4HGHSRPOLBSLC6A2SLC6A4
SCHEMBL11456280 0.86 GHSR (0.52) LTA4HGHSRPOLBSLC6A2SLC6A4
SCHEMBL11449386 0.86 GHSR (0.39) LTA4HGHSRSLC6A2SLC6A4SLC6A3
SCHEMBL11458221 0.84 SLC6A9 (0.45) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL11448946 0.83 LTA4H (0.51) LTA4HGHSRPOLB
SCHEMBL11466698 0.82 SLC6A4 (0.50) LTA4HPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL11455711 0.81 POLB (0.39) LTA4HPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL11466886 0.81 SLC6A9 (0.46) GHSR
SCHEMBL11457674 0.80 CHRNB4 (0.55) LTA4HGHSRPOLBCYP2D6
SCHEMBL11449383 0.80 GHSR (0.48) LTA4HGHSRPOLBSLC6A2SLC6A4

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