SCHEMBL8599103

SCHEMBL8599103

COc1ccc2cccc(N3CCN(CCCn4ncc5ccccc5c4=O)CC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.71
DRD2 P14416 5/20 0.71
DRD4 P21917 5/20 0.71
ADRA2A P08913 3/20 0.71
ADRA2C P18825 3/20 0.71
HRH2 P25021 3/20 0.71
HTR2A P28223 3/20 0.71
HTR7 P34969 3/20 0.71
ADRA1A P35348 3/20 0.71
HRH1 P35367 3/20 0.71
ADRA1B P35368 3/20 0.71
SIGMAR1 Q99720 3/20 0.71
DRD3 P35462 3/20 0.71
ADRB2 P07550 2/20 0.71
ADRB1 P08588 2/20 0.71
ADRA2B P18089 2/20 0.71
DRD1 P21728 2/20 0.71
SLC6A2 P23975 2/20 0.71
ADRA1D P25100 2/20 0.71
HTR2C P28335 2/20 0.71

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
SCHEMBL8595342 0.98 HTR1A (0.74) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8595084 0.88 HTR1A (0.71) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8597811 0.88 HTR1A (0.63) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8598448 0.87 HTR1A (0.57) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8595370 0.86 HTR1A (0.66) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8595848 0.85 HTR1A (0.60) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL4546509 0.83 HTR1A (1.00) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8598471 0.82 HTR1A (0.57) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8597149 0.81 HTR1A (0.53) HTR1ADRD2DRD4ADRA2AADRA2C
SCHEMBL8597120 0.81 HTR1A (0.51) HTR1ADRD2HTR2AHTR7DRD1

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
EP-0875512-A2 New naphthylpiperazine derivatives with antipsychotic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1998-11-04 EP claimed