SCHEMBL8330206

SCHEMBL8330206

CN(c1c(C#N)c(=N)n(C)c(=O)n1C)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.39
MOGAT2 Q3SYC2 2/20 0.36
MGAT2 Q10469 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
GRIN2B Q13224 1/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CNR2 P34972 1/20 0.33

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) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8324228 0.84 DRD4 (0.41) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8325128 0.84 DRD4 (0.41) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8329130 0.80 DRD4 (0.41) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8327693 0.80 DRD4 (0.41) DRD4MOGAT2KDM4EALDH1A1DRD2
SCHEMBL8330663 0.79 DRD4 (0.38) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8330210 0.79 DRD4 (0.46) DRD4MOGAT2MGAT2KDM4EALDH1A1
SCHEMBL8325382 0.79 DRD4 (0.34) DRD4DRD2DRD3CNR2
SCHEMBL8327397 0.76 GRIN2B (0.38) DRD4MOGAT2MGAT2GRIN2BDRD3
SCHEMBL8328415 0.72 GSK3B (0.36) 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