SCHEMBL8324228

SCHEMBL8324228

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MOGAT2 Q3SYC2 2/20 0.36
MGAT2 Q10469 1/20 0.36
GRIN2B Q13224 1/20 0.33
GAA P10253 2/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
KAT2B Q92831 1/20 0.33
TACR1 P25103 1/20 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) DRD4KDM4EALDH1A1HSD17B10MOGAT2
SCHEMBL8327397 0.84 GRIN2B (0.38) DRD4MOGAT2MGAT2GRIN2BKCNH2
SCHEMBL8330206 0.84 DRD4 (0.39) DRD4KDM4EALDH1A1HSD17B10MOGAT2
SCHEMBL8329130 0.84 DRD4 (0.41) DRD4KDM4EALDH1A1HSD17B10MOGAT2
SCHEMBL8325128 0.84 DRD4 (0.41) DRD4KDM4EALDH1A1HSD17B10MOGAT2
SCHEMBL8326476 0.80 DRD4 (0.40) DRD4KDM4EALDH1A1HSD17B10GRIN2B
SCHEMBL8327693 0.80 DRD4 (0.41) DRD4KDM4EALDH1A1MOGAT2KCNH2
SCHEMBL8325382 0.79 DRD4 (0.34) DRD4CNR2
SCHEMBL8324232 0.79 DRD4 (0.46) DRD4KDM4EALDH1A1HSD17B10MOGAT2
SCHEMBL8330663 0.78 DRD4 (0.38) DRD4KDM4EALDH1A1HSD17B10MOGAT2

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