SCHEMBL8550693

SCHEMBL8550693

O=C(O)OC1CCN(CC2CN(C3CCN(c4ccnnc4)CC3)C(=O)O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.43
ADRB3 P13945 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
SIGMAR1 Q99720 7/20 0.33
CCR8 P51685 2/20 0.33
F10 P00742 3/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 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
SCHEMBL8552786 0.90 HTR2B (0.45) HTR2BADRB3HRH3SIGMAR1CCR8
SCHEMBL8593632 0.90 HTR2B (0.45) HTR2BADRB3HRH3SIGMAR1CCR8
SCHEMBL8351621 0.88 HTR2B (0.45) HTR2BF10ITGB3ITGA2B
SCHEMBL8351689 0.86 HTR2B (0.43) HTR2BADRB3CCR8F10ITGB3
SCHEMBL8552905 0.85 SIGMAR1 (0.33) HTR2BSIGMAR1
SCHEMBL8551745 0.83 HRH3 (0.36) HRH3ITGB3ITGA2B
SCHEMBL8551353 0.81 HTR2B (0.42) HTR2BADRB3HRH3CCR8
SCHEMBL8552884 0.79 HTR2B (0.43) HTR2BHRH3CCR8
SCHEMBL8551028 0.79 HTR2B (0.41) HTR2BADRB3
SCHEMBL8590784 0.79 HRH3 (0.40) HTR2BHRH3SIGMAR1F10ITGB3

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