SCHEMBL8553468

SCHEMBL8553468

CCC1C(CN2CCC(OC(=O)O)CC2)OC(=O)N1C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
HTR7 P34969 1/20 0.33
HRH1 P35367 3/20 0.33
CCR3 P51677 3/20 0.33
KCNH2 Q12809 3/20 0.33
F10 P00742 1/20 0.32
CYP19A1 P11511 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
KHK P50053 1/20 0.31

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
SCHEMBL8592389 0.91 HRH3 (0.38) HRH3ITGB3ITGA2BHTR7
SCHEMBL8592465 0.91 HRH3 (0.38) HRH3ITGB3ITGA2BHTR7
SCHEMBL8595508 0.89 HRH3 (0.44) HRH3ITGB3ITGA2BHTR7HRH1
SCHEMBL8355474 0.88 ITGB3 (0.38) ITGB3ITGA2BHTR7F10
SCHEMBL8646032 0.86 HRH3 (0.41) HRH3ITGB3ITGA2BF10
SCHEMBL8592105 0.83 HRH3 (0.39) HRH3ITGB3ITGA2BHRH1CCR3
SCHEMBL8596805 0.83 HRH3 (0.37) HRH3ITGB3ITGA2BHRH1KCNH2
SCHEMBL7343911 0.80 HRH3 (0.44) HRH3ITGB3ITGA2BF10
SCHEMBL8356687 0.80 HTR7 (0.36) HRH3ITGB3ITGA2BHTR7F10
SCHEMBL8352568 0.79 S1PR5 (0.37) ITGB3ITGA2BHTR7F10

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-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed