SCHEMBL8327397

SCHEMBL8327397

CNC(=O)/N=c1/c(C#N)c(N(C)C2CN(Cc3ccc(F)cc3)CCO2)n(C)c(=S)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.38
DRD4 P21917 4/20 0.37
MOGAT2 Q3SYC2 2/20 0.34
MGAT2 Q10469 1/20 0.34
KCNH2 Q12809 2/20 0.33
GRM2 Q14416 2/20 0.33
MLNR O43193 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD3 P35462 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
SCHEMBL8324228 0.84 DRD4 (0.41) GRIN2BDRD4MOGAT2MGAT2KCNH2
SCHEMBL8326763 0.83 DRD4 (0.41) GRIN2BDRD4MOGAT2MGAT2DRD3
SCHEMBL8327400 0.82 DRD4 (0.41) GRIN2BDRD4MOGAT2MGAT2KCNH2
SCHEMBL8329835 0.78 DRD4 (0.35) GRIN2BDRD4CYP1A2CYP3A4CYP2C9
SCHEMBL8330206 0.76 DRD4 (0.39) GRIN2BDRD4MOGAT2MGAT2DRD3
SCHEMBL8327693 0.74 DRD4 (0.41) DRD4MOGAT2KCNH2MLNRDRD3
SCHEMBL8329877 0.74 DRD4 (0.43) DRD4KCNH2MEN1LMNACYP1A2
SCHEMBL8329875 0.74 DRD4 (0.43) DRD4KCNH2MEN1LMNACYP1A2
SCHEMBL8326476 0.73 DRD4 (0.40) GRIN2BDRD4KCNH2MLNRMEN1
SCHEMBL8325128 0.73 DRD4 (0.41) DRD4MOGAT2MGAT2KCNH2GRM2

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