SCHEMBL8325986

SCHEMBL8325986

Cn1c(NC2CC3COCC(C2)N3CCCOc2ccc(F)cc2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HRH2 P25021 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
CHRM1 P11229 1/20 0.31
USP2 O75604 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
SCHEMBL8326665 0.85 LTA4H (0.34) DRD2DRD3KDM4EHTTALDH1A1
SCHEMBL8326062 0.77 HTR3A (0.30)
SCHEMBL8887289 0.73 LTA4H (0.33) DRD3KDM4EHTTALDH1A1
SCHEMBL8327067 0.73 LTA4H (0.33) DRD3KDM4EHTTALDH1A1
SCHEMBL8327922 0.72 BCHE (0.35) DRD2DRD3KDM4EHTTALDH1A1
SCHEMBL7491243 0.70 SLC6A3 (0.42) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8801867 0.70 HRH1 (0.39) HRH1SLC6A3HTR1ADRD2HTR2A
SCHEMBL8324780 0.70
SCHEMBL8327173 0.70 PRKAA2 (0.42) DRD3SIGMAR1ALDH1A1
SCHEMBL7496549 0.70 HTR1A (0.46) HRH1SLC6A3HTR1ADRD2HTR2A

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