SCHEMBL8551745

SCHEMBL8551745

O=C(O)OC1CCN(C(=O)C2CN(C3CCN(c4ccnnc4)CC3)C(=O)O2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.36
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 0.32
LRRK2 Q5S007 2/20 0.31
VNN1 O95497 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL8356522 0.87 NOTUM (0.38) ITGB3ITGA2BGFER
SCHEMBL8550693 0.83 HTR2B (0.43) HRH3ITGB3ITGA2B
SCHEMBL8357011 0.77 ITGB3 (0.46) HRH3ITGB3ITGA2B
SCHEMBL8553302 0.75 HRH3 (0.41) HRH3ITGB3ITGA2B
SCHEMBL8589135 0.75 HRH3 (0.44) HRH3ITGB3ITGA2B
SCHEMBL8593632 0.72 HTR2B (0.45) HRH3ITGB3ITGA2B
SCHEMBL8552786 0.72 HTR2B (0.45) HRH3ITGB3ITGA2B
SCHEMBL8356608 0.72 AKR1C3 (0.38) ITGB3ITGA2B
SCHEMBL8356556 0.71 HRH3 (0.39) HRH3ITGB3ITGA2B
SCHEMBL7349534 0.71 HRH3 (0.35) HRH3LRRK2

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