SCHEMBL8329982

SCHEMBL8329982

Cn1c(NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)c(C#N)c(=O)n(C)c1=S

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 19/20 0.46
CCR3 P51677 1/20 0.46
DRD2 P14416 1/20 0.37

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
SCHEMBL8327166 0.90 DRD4 (0.47) DRD4CCR3DRD2
SCHEMBL8324232 0.90 DRD4 (0.46) DRD4
SCHEMBL8322064 0.82 DRD4 (0.51) DRD4DRD2
SCHEMBL8330688 0.80 DRD4 (0.47) DRD4DRD2
SCHEMBL8329087 0.80 DRD4 (0.47) DRD4
SCHEMBL8326767 0.80 DRD4 (0.47) DRD4
SCHEMBL8322798 0.79 DRD4 (0.48) DRD4DRD2
SCHEMBL8326362 0.78 DRD4 (0.53) DRD4DRD2
SCHEMBL8323338 0.78 DRD4 (0.43) DRD4DRD2
SCHEMBL8325386 0.78 DRD4 (0.40) DRD4DRD2

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