SCHEMBL8325382

SCHEMBL8325382

CN(c1c(C#N)c(=N)n(C)c(=S)n1C)C1CN(Cc2ccncc2)CCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.34
PKM P14618 1/20 0.32
CNR2 P34972 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL8326763 0.89 DRD4 (0.41) DRD4CNR2DRD2DRD3
SCHEMBL8327693 0.89 DRD4 (0.41) DRD4CNR2DRD2DRD3
SCHEMBL8330567 0.83 POLB (0.38) DRD4PKM
SCHEMBL8325386 0.79 DRD4 (0.40) DRD4DRD2DRD3
SCHEMBL8330206 0.79 DRD4 (0.39) DRD4CNR2DRD2DRD3
SCHEMBL8324228 0.79 DRD4 (0.41) DRD4CNR2
SCHEMBL8330663 0.74 DRD4 (0.38) DRD4CNR2
SCHEMBL8327397 0.73 GRIN2B (0.38) DRD4DRD3
SCHEMBL8321742 0.73 PKM (0.37) DRD4PKM
SCHEMBL8327681 0.73 DRD4 (0.41) DRD4

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 2 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
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed