SCHEMBL8326362

SCHEMBL8326362

COc1ccc(CN2CCOC(CNc3c(C#N)c(=N)n(C)c(=S)n3C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.53
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL8322064 0.90 DRD4 (0.51) DRD4DRD2
SCHEMBL8326767 0.89 DRD4 (0.47) DRD4DRD3
SCHEMBL8322798 0.89 DRD4 (0.48) DRD4DRD2DRD3
SCHEMBL8323338 0.88 DRD4 (0.43) DRD4DRD2DRD3
SCHEMBL8327166 0.88 DRD4 (0.47) DRD4DRD2
SCHEMBL8325386 0.88 DRD4 (0.40) DRD4DRD2DRD3
SCHEMBL8327695 0.87 DRD4 (0.47) DRD4DRD2DRD3
SCHEMBL8328227 0.83 KMT2A (0.48)
SCHEMBL8327701 0.80 DRD4 (0.48) DRD4DRD2DRD3
SCHEMBL8326456 0.80 DRD4 (0.49) DRD4DRD2DRD3

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed