SCHEMBL8788400

SCHEMBL8788400

CCCNC1CCc2c(Cl)ccnc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.47
DRD2 P14416 11/20 0.47
DRD4 P21917 5/20 0.47
HTR1B P28222 3/20 0.42
HTR1D P28221 2/20 0.42
HRH2 P25021 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL8784186 0.85 DRD3 (0.48) DRD3DRD2DRD4HTR1BHTR1D
SCHEMBL8782859 0.84 GRIN2B (0.37) DRD3DRD2DRD4HTR2AADRA1A
SCHEMBL8783295 0.75 GRIN1 (0.54) DRD3DRD2DRD4HTR1BHTR1D
SCHEMBL8783307 0.74 DRD2 (0.58) DRD3DRD2DRD4HTR1DADRB2
SCHEMBL30667124 0.73 HTR2A (0.38) HTR2AHTR2B
Bromide SCHEMBL9449301 0.73 DRD2 (0.56) DRD3DRD2DRD4HTR1DADRB2
SCHEMBL8314550 0.72 DRD2 (0.60) DRD3DRD2DRD4HTR1BHTR1D
SCHEMBL9862396 0.72 DRD2 (0.63) DRD3DRD2DRD4HTR1BHTR1D
SCHEMBL8782868 0.72 DRD2 (0.43) DRD3DRD2DRD4HTR1DADRB2
Hydrochloric Acid SCHEMBL9424993 0.71 DRD2 (0.62) DRD3DRD2DRD4HTR1BHTR1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395244-B1 Pyridine derivatives WYETH JOHN & BROTHER LTD (GB) 1997-02-19 EP disclosed
US-5194439-A 5-HT Agonists or Antagonists, Nervous System Disorders, Hypotensive Agents JOHN WYETH & BROTHER LIMITED (GB) 1993-03-16 US disclosed
US-5075303-A Central nervous system disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-12-24 US disclosed