SCHEMBL11455779

SCHEMBL11455779

Clc1ccccc1OC(CC1CCCCN1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 0.49
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
POLB P06746 1/20 0.43
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
SLC6A9 P48067 1/20 0.41
LTA4H P09960 2/20 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
SCHEMBL11447977 0.96 GHSR (0.53) GHSRSLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL11466657 0.85 POLB (0.43) SLC6A2SLC6A4SLC6A3POLBCACNA2D1
SCHEMBL11466701 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3POLBCACNA2D1
SCHEMBL11467500 0.85 CHRNB4 (0.53) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL11449222 0.85 POLB (0.43) SLC6A2SLC6A4SLC6A3POLBCACNA2D1
SCHEMBL11458218 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3POLB
SCHEMBL11448946 0.83 LTA4H (0.51) GHSRPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL11447773 0.82 LTA4H (0.51) GHSRSLC6A2SLC6A4SLC6A3POLB
SCHEMBL11448415 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3POLBCACNA2D1
SCHEMBL11456286 0.82 POLB (0.41) SLC6A2SLC6A4POLBCACNA2D1CACNA1B

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