SCHEMBL11450652

SCHEMBL11450652

FC(F)(F)Sc1ccc(OC(CC2CCCCN2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.41
POLB P06746 1/20 0.39
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
GHSR Q92847 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNK2 O95069 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 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
SCHEMBL11449386 0.97 GHSR (0.39) LTA4HGHSRSLC6A2SLC6A4SLC6A3
SCHEMBL11449145 0.89 LTA4H (0.40) LTA4HPOLBGHSRSLC6A2SLC6A4
SCHEMBL11448396 0.85 GHSR (0.45) LTA4HPOLBGHSRSLC6A2SLC6A4
SCHEMBL11456914 0.85 LTA4H (0.54) LTA4HSLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL11448946 0.85 LTA4H (0.51) LTA4HPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL11455787 0.84 LTA4H (0.51) LTA4HPOLBSLC6A4
SCHEMBL11455711 0.83 POLB (0.39) LTA4HPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL11466693 0.82 GHSR (0.48) LTA4HGHSRSLC6A2SLC6A4
SCHEMBL11458069 0.82 SLC6A4 (0.53) LTA4HSLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL11448239 0.82 LTA4H (0.46) LTA4HPOLBGHSRSLC6A2SLC6A4

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-4225608-A ANTIDEPRESSANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-09-30 US disclosed