SCHEMBL8109562

SCHEMBL8109562

Cc1cc(-c2ccccc2)nn(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
HTR7 P34969 5/20 0.58
HTR2A P28223 3/20 0.58
HTR1A P08908 1/20 0.58
HTR6 P50406 1/20 0.58
SIGMAR1 Q99720 1/20 0.57
DRD3 P35462 6/20 0.56
ADRA1A P35348 3/20 0.56
SLC6A4 P31645 2/20 0.56
DRD5 P21918 3/20 0.54
CTSS P25774 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL8103525 0.88 HTR2A (0.65) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8103814 0.87 HTR1A (0.63) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8102136 0.86 CTSS (0.67) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8108057 0.85 HTR1A (0.61) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8103915 0.82 CTSS (0.60) DRD2HTR7HTR2AHTR1AHTR6
Hydrochloric Acid SCHEMBL8557013 0.81 DRD2 (0.62) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8103442 0.81 HTR2A (0.68) DRD2HTR7HTR2AHTR1AHTR6
SCHEMBL8103844 0.79 HTR2A (0.65) DRD2HTR7HTR2AHTR1AHTR6
Hydrochloric Acid SCHEMBL8554434 0.78 HTR7 (0.64) DRD2HTR7HTR2AHTR1AHTR6
Hydrochloric Acid SCHEMBL8402882 0.77 DRD2 (0.57) DRD2HTR7HTR2AHTR1AHTR6

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