SCHEMBL11448239

SCHEMBL11448239

Cc1ccc(OC(CC2CCCCN2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
POLB P06746 1/20 0.43
GHSR Q92847 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL11448946 0.91 LTA4H (0.51) LTA4HPOLBGHSR
SCHEMBL11449265 0.90 SLC6A3 (0.48) LTA4HSLC6A2SLC6A3SLC6A4POLB
SCHEMBL11449383 0.88 GHSR (0.48) LTA4HSLC6A2SLC6A3SLC6A4POLB
SCHEMBL11447773 0.88 LTA4H (0.51) LTA4HSLC6A2SLC6A3SLC6A4POLB
SCHEMBL11447961 0.88 LTA4H (0.46) LTA4HSLC6A4POLBGHSR
SCHEMBL11456857 0.88 LTA4H (0.46) LTA4HSLC6A2SLC6A3SLC6A4POLB
SCHEMBL11455787 0.88 LTA4H (0.51) LTA4HSLC6A4POLB
SCHEMBL11448396 0.87 GHSR (0.45) LTA4HSLC6A2SLC6A3SLC6A4POLB
SCHEMBL11455640 0.87 GHSR (0.50) LTA4HGHSR
SCHEMBL11447703 0.86 GHSR (0.47) LTA4HSLC6A2SLC6A3SLC6A4GHSR

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