SCHEMBL8552884

SCHEMBL8552884

O=C(O)OC1CCN(CC2CN(C3CCN(CCc4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.43
CCR8 P51685 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
THRB P10828 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8623696 0.89 HTR2B (0.38) HTR2BCCR8TDP1L3MBTL1HRH3
SCHEMBL8355541 0.88 HTR2B (0.45) HTR2BCCR8TDP1L3MBTL1HRH3
SCHEMBL8552786 0.87 HTR2B (0.45) HTR2BCCR8HRH3POLB
SCHEMBL8593632 0.87 HTR2B (0.45) HTR2BCCR8HRH3POLB
SCHEMBL8351626 0.83 ALDH1A1 (0.43) HTR2BHRH3KMT2A
SCHEMBL8551353 0.82 HTR2B (0.42) HTR2BCCR8HRH3
SCHEMBL8550693 0.79 HTR2B (0.43) HTR2BCCR8HRH3
SCHEMBL8590784 0.76 HRH3 (0.40) HTR2BHRH3
SCHEMBL8551028 0.74 HTR2B (0.41) HTR2B
SCHEMBL8549444 0.74 OGA (0.45) HTR2BCCR8HRH3

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