SCHEMBL4088977

SCHEMBL4088977

O=c1[nH]c(C2C3CC4CC(C3)CC2C4)c(-c2ccccc2)n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.44
DRD2 P14416 10/20 0.44
DRD3 P35462 9/20 0.44
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4083334 0.86 CYP1A2 (0.37) DRD4DRD2DRD3CHRM1CYP3A4
SCHEMBL4089327 0.82 DRD2 (0.41) DRD4DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL4088862 0.71
SCHEMBL4082407 0.68
SCHEMBL3963976 0.67 DRD4 (0.47) DRD4DRD2DRD3
SCHEMBL22605722 0.66 DRD4 (0.65) DRD4DRD2DRD3
SCHEMBL9642259 0.65 DRD2 (0.64) DRD4DRD2DRD3CHRM1ALDH1A1
SCHEMBL74990 0.65 DRD2 (0.41) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL13801366 0.65 DRD4 (0.51) DRD4DRD2DRD3OPRM1OPRK1
SCHEMBL885834 0.65 MEN1 (0.46) DRD4DRD2DRD3OPRM1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed