SCHEMBL8551028

SCHEMBL8551028

O=C(O)OC1CCN(CC2CN(C3CCN(c4ccnc(Nc5ncccn5)n4)CC3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.41
OGA O60502 1/20 0.38
JAK2 O60674 8/20 0.35
JAK1 P23458 8/20 0.35
TYK2 P29597 8/20 0.35
ALK Q9UM73 3/20 0.35
CXCR4 P61073 1/20 0.35
SYK P43405 1/20 0.35
PARP1 P09874 1/20 0.35
IGF1R P08069 2/20 0.34
ADRB3 P13945 1/20 0.34
BPTF Q12830 1/20 0.34

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
SCHEMBL8549444 0.90 OGA (0.45) HTR2BOGAALKCXCR4IGF1R
SCHEMBL8349896 0.89 SYK (0.43) HTR2BJAK2JAK1TYK2ALK
SCHEMBL8550242 0.89 HTR2B (0.38) HTR2BOGAJAK2JAK1TYK2
SCHEMBL8352865 0.84 ALK (0.44) HTR2BJAK2JAK1TYK2ALK
SCHEMBL8551353 0.83 HTR2B (0.42) HTR2BPARP1ADRB3
SCHEMBL8593632 0.79 HTR2B (0.45) HTR2BADRB3
SCHEMBL8552786 0.79 HTR2B (0.45) HTR2BADRB3
SCHEMBL8351623 0.79 OGA (0.44) HTR2BOGAALKCXCR4SYK
SCHEMBL8550693 0.79 HTR2B (0.43) HTR2BADRB3
SCHEMBL8355453 0.78 F10 (0.39) HTR2BJAK2JAK1TYK2SYK

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