SCHEMBL8242017

SCHEMBL8242017

COc1ccc(C2(CN(C)C)CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.66
SLC6A3 Q01959 19/20 0.66
SLC6A2 P23975 13/20 0.66

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
SCHEMBL3271078 0.84 ALDH1A1 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL11634132 0.82 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL5139911 0.81 SLC6A4 (0.71) SLC6A4SLC6A3SLC6A2
SCHEMBL16691393 0.81 SLC6A4 (0.72) SLC6A4SLC6A3SLC6A2
SCHEMBL11026840 0.79 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2
SCHEMBL3517701 0.79 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL3517976 0.79 SLC6A3 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL14347765 0.79 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2
SCHEMBL1201181 0.79 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL4800365 0.78 SLC6A4 (0.49) SLC6A4SLC6A3

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-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed