SCHEMBL8330663

SCHEMBL8330663

CC(C)Cn1c(N(C)C2CN(Cc3ccc(F)cc3)CCO2)c(C#N)c(=N)n(CC(C)C)c1=S

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.38
MOGAT2 Q3SYC2 2/20 0.36
MGAT2 Q10469 1/20 0.36
CNR2 P34972 1/20 0.31
GRIN2B Q13224 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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 0.84 DRD4 (0.41) DRD4MOGAT2MGAT2CNR2GRIN2B
SCHEMBL8326832 0.80 DRD4 (0.43) DRD4MOGAT2MGAT2
SCHEMBL8330206 0.79 DRD4 (0.39) DRD4MOGAT2MGAT2CNR2GRIN2B
SCHEMBL8324228 0.78 DRD4 (0.41) DRD4MOGAT2MGAT2CNR2GRIN2B
SCHEMBL8327693 0.76 DRD4 (0.41) DRD4MOGAT2CNR2KDM4EALDH1A1
SCHEMBL8325382 0.74 DRD4 (0.34) DRD4CNR2
SCHEMBL8327397 0.72 GRIN2B (0.38) DRD4MOGAT2MGAT2GRIN2B
SCHEMBL8325128 0.69 DRD4 (0.41) DRD4MOGAT2MGAT2CNR2KDM4E
SCHEMBL8329130 0.69 DRD4 (0.41) DRD4MOGAT2MGAT2CNR2KDM4E
SCHEMBL8328415 0.68 GSK3B (0.36) DRD4HRH3

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed