SCHEMBL8103432

SCHEMBL8103432

COc1ccccc1N1CCN(CCCCn2nc(-c3ccccc3)cc(C)c2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.64
ADRA1D P25100 4/20 0.64
ADRA1A P35348 4/20 0.64
ADRA1B P35368 4/20 0.64
DRD4 P21917 6/20 0.62
DRD2 P14416 5/20 0.62
DRD3 P35462 5/20 0.62
HTR7 P34969 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
HRH2 P25021 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2A P28223 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL8101997 0.87 DRD4 (0.65) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL7690136 0.79 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL8103814 0.79 HTR1A (0.63) HTR1AADRA1DADRA1ADRD4DRD2
SCHEMBL8108057 0.77 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL8109562 0.76 DRD2 (0.58) HTR1AADRA1ADRD2DRD3HTR7
SCHEMBL7838368 0.76 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BDRD4
Hydrochloric Acid SCHEMBL8043712 0.75 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL8558678 0.74 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL4546508 0.74 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BDRD4
SCHEMBL6526368 0.74 DRD2 (0.85) HTR1AADRA1DADRA1AADRA1BDRD2

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-1057820-A1 Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) 2000-12-06 EP claimed