SCHEMBL8325128

SCHEMBL8325128

CN(c1c(C#N)c(=O)n(-c2ccccc2)c(=O)n1C)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.41
TSHR P16473 1/20 0.36
CNR2 P34972 2/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MOGAT2 Q3SYC2 2/20 0.34
MGAT2 Q10469 1/20 0.34
TACR1 P25103 1/20 0.33
GRM2 Q14416 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
SCHEMBL8329130 0.93 DRD4 (0.41) DRD4TSHRCNR2DPP4KCNH2
SCHEMBL8330206 0.84 DRD4 (0.39) DRD4TSHRCNR2KDM4EALDH1A1
SCHEMBL8324228 0.84 DRD4 (0.41) DRD4CNR2DPP4KCNH2KDM4E
SCHEMBL8325130 0.80 DRD4 (0.47) DRD4KCNH2
SCHEMBL8329132 0.77 DRD4 (0.47) DRD4KCNH2HSD17B10
SCHEMBL8326763 0.77 DRD4 (0.41) DRD4CNR2KDM4EALDH1A1HSD17B10
SCHEMBL8327397 0.73 GRIN2B (0.38) DRD4KCNH2MOGAT2MGAT2GRM2
SCHEMBL8330688 0.72 DRD4 (0.47) DRD4KCNH2
SCHEMBL8329835 0.70 DRD4 (0.35) DRD4TSHRCNR2ALDH1A1
SCHEMBL8330663 0.69 DRD4 (0.38) DRD4CNR2KDM4EALDH1A1HSD17B10

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