SCHEMBL8552786

SCHEMBL8552786

O=C(O)OC1CCN(CC2CN(C3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.45
HRH3 Q9Y5N1 3/20 0.43
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ADRB3 P13945 1/20 0.35
SIGMAR1 Q99720 4/20 0.34
F10 P00742 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCR8 P51685 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8593632 1.00 HTR2B (0.45) HTR2BHRH3ITGB3ITGA2BADRB3
SCHEMBL8550693 0.90 HTR2B (0.43) HTR2BHRH3ITGB3ITGA2BADRB3
SCHEMBL8590784 0.88 HRH3 (0.40) HTR2BHRH3ITGB3ITGA2BSIGMAR1
SCHEMBL8355309 0.87 HTR2B (0.47) HTR2BITGB3ITGA2BF10
SCHEMBL8551353 0.87 HTR2B (0.42) HTR2BHRH3ADRB3KCNH2CCR8
SCHEMBL8589135 0.87 HRH3 (0.44) HRH3ITGB3ITGA2BADRB3CYP2C9
SCHEMBL8552884 0.87 HTR2B (0.43) HTR2BHRH3CCR8POLB
SCHEMBL8351475 0.85 HTR2B (0.45) HTR2BITGB3ITGA2B
SCHEMBL8644656 0.85 HRH3 (0.39) HRH3ITGB3ITGA2BSIGMAR1
SCHEMBL8351727 0.83 HTR2B (0.47) HTR2BHRH3ITGB3ITGA2BADRB3

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 claimed
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 claimed