SCHEMBL8102136

SCHEMBL8102136

O=c1ccc(-c2ccccc2)nn1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.67
HTR2A P28223 4/20 0.63
SLC6A4 P31645 2/20 0.63
DRD2 P14416 4/20 0.58
HTR7 P34969 4/20 0.58
HTR1A P08908 2/20 0.58
HTR6 P50406 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
DRD3 P35462 4/20 0.56
ADRA1A P35348 3/20 0.56
MAPT P10636 1/20 0.56
DRD1 P21728 1/20 0.54

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 0.98 HTR2A (0.65) CTSSHTR2ASLC6A4DRD2HTR7
SCHEMBL8103915 0.94 CTSS (0.60) CTSSHTR2ASLC6A4DRD2HTR7
SCHEMBL7689812 0.86 MAPT (0.73) CTSSHTR2ASLC6A4DRD2HTR7
SCHEMBL8109562 0.86 DRD2 (0.58) CTSSHTR2ASLC6A4DRD2HTR7
SCHEMBL8103844 0.85 HTR2A (0.65) CTSSHTR2ASLC6A4DRD2HTR7
SCHEMBL7689917 0.84 MAPT (0.73) HTR2ASLC6A4DRD2HTR7HTR1A
SCHEMBL8103442 0.83 HTR2A (0.68) HTR2ASLC6A4DRD2HTR7HTR1A
SCHEMBL7683387 0.79 MAPT (0.72) HTR2ASLC6A4DRD2HTR7HTR1A
SCHEMBL11465528 0.79 SIGMAR1 (0.76) HTR2ADRD2HTR7HTR1ASIGMAR1
SCHEMBL8107948 0.79 HTR2A (0.59) HTR2ASLC6A4DRD2HTR7HTR1A

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