SCHEMBL9033889

SCHEMBL9033889

Cc1[nH]c(=O)n(C2CCN(CCc3ccccc3)CC2)c1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.71
DRD2 P14416 18/20 0.71
DRD3 P35462 16/20 0.71
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
OPRM1 P35372 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL9034574 0.92 DRD2 (0.79) DRD4DRD2DRD3OPRM1
SCHEMBL8786461 0.90 DRD2 (0.87) DRD4DRD2DRD3OPRM1
SCHEMBL8786607 0.85 DRD4 (0.86) DRD4DRD2DRD3
SCHEMBL8786997 0.83 DRD2 (1.00) DRD4DRD2DRD3OPRM1
SCHEMBL22605906 0.83 DRD2 (0.64) DRD4DRD2DRD3
SCHEMBL9035212 0.81 DRD2 (0.68) DRD4DRD2DRD3OPRM1
SCHEMBL8916449 0.80 DRD4 (0.84) DRD4DRD2DRD3OPRM1
SCHEMBL8786357 0.77 DRD4 (1.00) DRD4DRD2DRD3
SCHEMBL8786458 0.75 DRD4 (1.00) DRD4DRD2DRD3OPRM1
SCHEMBL8915671 0.74 DRD4 (0.80) DRD4DRD2DRD3OPRM1

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-0719264-A1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1996-07-03 EP claimed
WO-1995007904-A1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO claimed