SCHEMBL4089327

SCHEMBL4089327

O=c1[nH]c(C2C3CC4CC(C3)CC2C4)c(-c2ccccn2)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
FLT3 P36888 1/20 0.39
BTK Q06187 1/20 0.33
TNKS O95271 5/20 0.32
TNKS2 Q9H2K2 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 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
SCHEMBL4088977 0.82 DRD4 (0.44) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL4083334 0.74 CYP1A2 (0.37) DRD2DRD4DRD3CALCRL
SCHEMBL77116 0.68 FLT3 (0.50) DRD2DRD4DRD3FLT3NPC1
SCHEMBL4088862 0.67
Dipyridyl SCHEMBL28503547 0.65 KDM4E (0.70) FLT3NPC1RAB9AALDH1A1LMNA
SCHEMBL4082407 0.64
SCHEMBL27961125 0.64 FLT3 (0.45) FLT3NPC1RAB9AALDH1A1LMNA
Bromide SCHEMBL28146019 0.63 FLT3 (0.44) FLT3NPC1RAB9AALDH1A1LMNA
SCHEMBL15205127 0.60 TNKS (0.61) DRD2TNKSTNKS2CALCRL
SCHEMBL16695655 0.60 TNKS (0.61) DRD2TNKSTNKS2

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