SCHEMBL8328890

SCHEMBL8328890

COC(=O)c1c(NC2CN(Cc3ccc(F)cc3)CCO2)n(-c2ccccc2)c(=S)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.41
MAPK8 P45983 3/20 0.39
MAPK9 P45984 3/20 0.39
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
GRIN2B Q13224 1/20 0.35
FAAH O00519 1/20 0.35
KAT2B Q92831 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
SCHEMBL8327102 0.93 DRD4 (0.41) DRD4MAPK8MAPK9LMNAGAA
SCHEMBL8327988 0.93 DRD4 (0.39) DRD4MAPK8MAPK9LMNAGAA
SCHEMBL8327984 0.92 DRD4 (0.39) DRD4MAPK8MAPK9LMNAGAA
SCHEMBL8325449 0.92 DRD4 (0.42) DRD4DRD2DRD3FAAH
SCHEMBL8326299 0.91 DRD4 (0.38) DRD4MAPK8MAPK9LMNAGAA
SCHEMBL8327903 0.91 DRD4 (0.42) DRD4DRD2DRD3FAAH
SCHEMBL8324935 0.91 DRD4 (0.38) DRD4MAPK8MAPK9LMNAGAA
SCHEMBL8324850 0.84 DRD4 (0.38) DRD4GAADRD2DRD3FAAH
SCHEMBL8323149 0.84 DRD4 (0.40) DRD4FAAH
SCHEMBL8327273 0.84 DRD4 (0.40) DRD4MAPTDRD2DRD3FAAH

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 3 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
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed