SCHEMBL8912798

SCHEMBL8912798

CN1CCN(c2ccccc2OCc2cccc(N)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
AGXT P21549 1/20 0.51
ADRA2C P18825 2/20 0.49
HTR6 P50406 5/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8900904 0.87 DRD2 (0.56) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL14355885 0.85 HTR1A (0.68) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL7034737 0.83 HTR6 (0.54) HTR1ASLC6A2SLC6A4SLC6A3ADRA2C
SCHEMBL8917679 0.80 MET (0.66) DRD2DRD3HTR1AHTR6ALDH1A1
SCHEMBL14543394 0.74 ALDH1A1 (0.68) DRD2DRD3ALDH1A1GAATSHR
SCHEMBL17659126 0.74 HRH3 (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL30879257 0.73 HRH4 (0.49) DRD2DRD3ADRA2CHTR6HRH4
SCHEMBL8347243 0.73 MAOB (0.51) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8893443 0.73 DRD2 (0.65) DRD2DRD3HTR1AADRA2CALDH1A1
SCHEMBL3139131 0.73 HTR6 (0.67) HTR1ASLC6A4AGXTADRA2CHTR6

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
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed