SCHEMBL8329130

SCHEMBL8329130

CN(c1c(C#N)c(=O)n(C)c(=O)n1-c1ccccc1)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.41
TSHR P16473 2/20 0.38
DPP4 P27487 2/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MOGAT2 Q3SYC2 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
MGAT2 Q10469 1/20 0.34

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
SCHEMBL8325128 0.93 DRD4 (0.41) DRD4TSHRDPP4KCNH2CNR2
SCHEMBL8324228 0.84 DRD4 (0.41) DRD4DPP4KCNH2CNR2HSD17B10
SCHEMBL8330206 0.80 DRD4 (0.39) DRD4TSHRCNR2HSD17B10KDM4E
SCHEMBL8329132 0.80 DRD4 (0.47) DRD4KCNH2HSD17B10GAA
SCHEMBL8325130 0.77 DRD4 (0.47) DRD4KCNH2
SCHEMBL8326763 0.75 DRD4 (0.41) DRD4CNR2HSD17B10KDM4EALDH1A1
SCHEMBL8330688 0.74 DRD4 (0.47) DRD4KCNH2
SCHEMBL8327397 0.71 GRIN2B (0.38) DRD4KCNH2MOGAT2MGAT2
SCHEMBL8329835 0.71 DRD4 (0.35) DRD4TSHRCNR2ALDH1A1HTT
SCHEMBL8329087 0.71 DRD4 (0.47) DRD4TSHRKCNH2HSD17B10KDM4E

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