SCHEMBL4733904

SCHEMBL4733904

CN(CCCN1c2ccccc2CCc2ccccc21)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.65
HRH1 P35367 5/20 0.65
SLC6A2 P23975 5/20 0.65
CHRM1 P11229 4/20 0.65
DRD2 P14416 4/20 0.65
ADRA2B P18089 4/20 0.65
ADRA2C P18825 4/20 0.65
CHRM3 P20309 4/20 0.65
HTR2A P28223 4/20 0.65
HTR2C P28335 4/20 0.65
ADRA1A P35348 4/20 0.65
DRD3 P35462 4/20 0.65
OPRK1 P41145 4/20 0.65
SLC6A3 Q01959 4/20 0.65
KCNH2 Q12809 4/20 0.65
LMNA P02545 3/20 0.65
MAPT P10636 3/20 0.65
ADORA3 P0DMS8 3/20 0.65
SMPD1 P17405 3/20 0.65
SLC22A1 O15245 3/20 0.65

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
SCHEMBL4678769 0.85 SLC6A4 (0.63) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL8025555 0.84 HTR2A (0.60) SLC6A4HRH1SLC6A2CHRM1DRD2
Imipramine SCHEMBL20644144 0.83 SLC6A4 (0.83) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL26967791 0.83 SLC6A4 (0.69) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL4677367 0.81 SLC6A4 (0.53) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL6419291 0.81 MEN1 (0.66) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL13980489 0.81 SLC6A4 (0.73) SLC6A4HRH1SLC6A2CHRM1DRD2
Imipramine SCHEMBL3002524 0.80 SLC6A4 (0.76) SLC6A4HRH1SLC6A2CHRM1DRD2
SCHEMBL221187 0.80 SLC6A4 (0.68) SLC6A4HRH1SLC6A2CHRM1DRD2
Imipramine SCHEMBL3002526 0.80 SLC6A4 (0.76) SLC6A4HRH1SLC6A2CHRM1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216994-B1 Tricyclic antidepressant derivatives and immunoassay ROCHE DIAGNOSTICS GMBH (DE) 2008-12-31 EP disclosed
EP-1216994-B1 Tricyclic antidepressant derivatives and immunoassay ROCHE DIAGNOSTICS GMBH (DE) 2008-12-31 EP disclosed
EP-1216994-A2 Tricyclic antidepressant derivatives and immunoassay Roche Diagnostics GmbH (DE) 2002-06-26 EP disclosed
US-6368814-B1 TRICYCLIC ANTIDEPRESSANTS AND METABOLITES THEREOF ROCHE DIAGNOSTICS CORPORATION 2002-04-09 US disclosed