SCHEMBL9034313

SCHEMBL9034313

CCc1[nH]c(=O)n(C2CCN(Cc3cccc(Br)c3)CC2)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.61
DRD2 P14416 14/20 0.61
DRD3 P35462 12/20 0.61
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
OPRM1 P35372 4/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48

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
SCHEMBL8919044 0.88 DRD4 (0.80) DRD4DRD2DRD3MBTD1L3MBTL3
SCHEMBL8786329 0.82 DRD4 (0.81) DRD4DRD2DRD3
SCHEMBL8786997 0.77 DRD2 (1.00) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL8915671 0.76 DRD4 (0.80) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL8916449 0.76 DRD4 (0.84) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL8915781 0.74 DRD4 (0.77) DRD4DRD2DRD3OPRM1
SCHEMBL8919697 0.74 DRD4 (0.76) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL8786461 0.71 DRD2 (0.87) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL8786338 0.71 DRD4 (0.83) DRD4DRD2DRD3
SCHEMBL8786476 0.70 DRD4 (1.00) 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 disclosed
WO-1995007904-A1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO disclosed