SCHEMBL3990735

SCHEMBL3990735

COCC1=C(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OCC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.39
SLC6A2 P23975 6/20 0.39
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A4 P31645 3/20 0.37
HRH1 P35367 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37

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
SCHEMBL3990724 0.90 MAPT (0.41) SLC6A3SLC6A2CYP2D6MAPTMAPK1
SCHEMBL3993782 0.89 KIT (0.44) SLC6A3PTGDR2PPARGPPARAHRH1
SCHEMBL3210586 0.83 ESR2 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL3989283 0.78 KIT (0.46) MAPTPTGDR2PPARGPPARAHRH1
SCHEMBL3986658 0.75 HTT (0.41) SLC6A3SLC6A2CYP2D6MAPTMAPK1
SCHEMBL3184176 0.72 ESR2 (0.47) SLC6A3SLC6A2MAPTMAPK1HTT
SCHEMBL13484596 0.72 SLC6A3 (0.40) SLC6A3SLC6A2MAPTMAPK1HTT
SCHEMBL3199018 0.71 ESR2 (0.48) MAPTHTT
SCHEMBL17485170 0.69 SLC6A3 (0.55) SLC6A3SLC6A2MAPTMAPK1HTT
SCHEMBL3981548 0.68 PTGDR2 (0.50) PTGDR2

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-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed