SCHEMBL11448396

SCHEMBL11448396

CSc1ccc(OC(CC2CCCCN2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.45
LTA4H P09960 7/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
POLB P06746 1/20 0.41
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL11466693 0.96 GHSR (0.48) GHSRLTA4HSLC6A2SLC6A4
SCHEMBL11456280 0.89 GHSR (0.52) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11448946 0.88 LTA4H (0.51) GHSRLTA4HPOLB
SCHEMBL11449265 0.87 SLC6A3 (0.48) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11448239 0.87 LTA4H (0.46) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11450652 0.85 LTA4H (0.41) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11456857 0.84 LTA4H (0.46) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11447961 0.84 LTA4H (0.46) GHSRLTA4HSLC6A4POLB
SCHEMBL11447773 0.84 LTA4H (0.51) GHSRLTA4HSLC6A2SLC6A4POLB
SCHEMBL11455787 0.84 LTA4H (0.51) LTA4HSLC6A4POLB

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