SCHEMBL5140945

SCHEMBL5140945

CNCCC1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.71
SLC6A3 Q01959 19/20 0.71
SLC6A2 P23975 7/20 0.71

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
SCHEMBL8233353 0.83 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL14347887 0.83 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5308783 0.83 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL5310266 0.83 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL5086827 0.83 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5086349 0.81 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL3518052 0.81 SLC6A4 (0.97) SLC6A4SLC6A3SLC6A2
SCHEMBL12002388 0.81 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2
SCHEMBL14347859 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL15043618 0.79 SLC6A4 (0.59) 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