SCHEMBL5084070

SCHEMBL5084070

CC(=O)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.60
SLC6A3 Q01959 19/20 0.60
SLC6A2 P23975 14/20 0.60

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
SCHEMBL5086399 0.85 SLC6A3 (0.65) SLC6A4SLC6A3SLC6A2
SCHEMBL17761317 0.83 SLC6A3 (0.64) SLC6A4SLC6A3SLC6A2
SCHEMBL625149 0.81 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL11107936 0.81 SLC6A3 (0.56) SLC6A4SLC6A3SLC6A2
SCHEMBL17761306 0.80 SLC6A3 (0.64) SLC6A4SLC6A3SLC6A2
SCHEMBL16691398 0.79 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL11104354 0.78 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2
SCHEMBL15862815 0.77 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2
SCHEMBL15043689 0.76 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2
SCHEMBL5085593 0.76 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2

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
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed