SCHEMBL15064787

SCHEMBL15064787

Cc1ccc2c(c1C)C=Cc1ccccc1N2CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR1A P08908 5/20 0.41
DRD2 P14416 5/20 0.41
SLC6A4 P31645 3/20 0.41
HRH1 P35367 3/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1B Q00975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
EBP Q15125 1/20 0.41

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
SCHEMBL1650918 0.82 HTR2A (0.59) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL5464795 0.76 PIM1 (0.59) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL10613637 0.68 PTGS1 (0.53) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL15064785 0.66 HTR2A (0.56) HTR2ADRD2SLC6A4HRH1CHRM2
SCHEMBL5323524 0.66 CES1 (0.53) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL7985761 0.66 HTR1A (0.54) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL8199134 0.65 SLC6A2 (0.63) HTR2AHTR1ADRD2SLC6A4HRH1
Depramine SCHEMBL29489714 0.65 HTR1A (0.73) HTR2AHTR1ADRD2SLC6A4HRH1
Depramine SCHEMBL2108027 0.65 HTR1A (0.73) HTR2AHTR1ADRD2SLC6A4HRH1
SCHEMBL8402837 0.65 MTNR1A (0.54) HTR2AHTR1ADRD2SLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130174289-A1 Na+/Mg2+ Exchanger FBN - LEIBNITZ-INSTITUT FUR NUTZTIERBIOLOGIE (DE) 2013-07-04 US disclosed