SCHEMBL8326476

SCHEMBL8326476

CCOC(=O)c1c(N(C)C2CN(Cc3ccc(F)cc3)CCO2)n(C)c(=S)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.40
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CASP1 P29466 1/20 0.36

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 0.80 DRD4 (0.41) DRD4KCNH2HSD17B10KDM4EGRIN2B
SCHEMBL8326479 0.80 LMNA (0.46) DRD4THRBLMNAMEN1CYP1A2
SCHEMBL8326763 0.74 DRD4 (0.41) DRD4DRD3HSD17B10KDM4EGRIN2B
SCHEMBL8327397 0.73 GRIN2B (0.38) DRD4LMNAMEN1CYP1A2CYP3A4
SCHEMBL8327984 0.69 DRD4 (0.39) DRD4THRBLMNAMEN1CYP1A2
SCHEMBL8330206 0.68 DRD4 (0.39) DRD4DRD3HSD17B10KDM4EGRIN2B
SCHEMBL8324935 0.68 DRD4 (0.38) DRD4LMNAMEN1CYP1A2CYP3A4
SCHEMBL8327102 0.68 DRD4 (0.41) DRD4LMNACYP2C19DRD3SIGMAR1
SCHEMBL8328890 0.67 DRD4 (0.41) DRD4LMNADRD3MAPTGRIN2B
SCHEMBL8329130 0.67 DRD4 (0.41) DRD4KCNH2HSD17B10KDM4EALDH1A1

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