SCHEMBL4678769

SCHEMBL4678769

CCOC(=O)CCN(C)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.63
HRH1 P35367 4/20 0.59
SMPD1 P17405 3/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
ADORA3 P0DMS8 3/20 0.59
CHRM1 P11229 3/20 0.59
DRD2 P14416 3/20 0.59
ADRA2B P18089 3/20 0.59
ADRA2C P18825 3/20 0.59
CHRM3 P20309 3/20 0.59
SLC6A2 P23975 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
ADRA1A P35348 3/20 0.59
DRD3 P35462 3/20 0.59
OPRK1 P41145 3/20 0.59
SLC6A3 Q01959 3/20 0.59
KCNH2 Q12809 3/20 0.59
CNR1 P21554 2/20 0.59

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
SCHEMBL6420673 0.86 NOTUM (0.61) SLC6A4HRH1SMPD1LMNAMAPT
SCHEMBL4733904 0.85 SLC6A4 (0.65) SLC6A4HRH1SMPD1LMNAMAPT
SCHEMBL7813757 0.82 SLC6A4 (0.54) SLC6A4HRH1CHRM1DRD2ADRA2B
Hydrochloric Acid SCHEMBL7813755 0.81 CYP3A4 (0.55) SLC6A4HRH1LMNAMAPTCHRM1
SCHEMBL7808599 0.80 SLC6A4 (0.54) SLC6A4HRH1SMPD1LMNAMAPT
Bromide SCHEMBL284961 0.79 NAMPT (0.53) SLC6A4CNR1ALDH1A1HTR7KMT2A
SCHEMBL218473 0.77 SLC6A4 (0.66) SLC6A4HRH1SMPD1LMNAMAPT
SCHEMBL6966501 0.77 DRD3 (0.58) SLC6A4CHRM1DRD2CHRM3SLC6A2
SCHEMBL8172344 0.77 CHRM1 (0.62) CHRM1DRD2CHRM3ADRA1ADRD3
Imipramine SCHEMBL20644144 0.77 SLC6A4 (0.83) SLC6A4HRH1SMPD1LMNAMAPT

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