SCHEMBL8644656

SCHEMBL8644656

O=C(O)OC1CCN(CC2CN(N3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
HTR7 P34969 1/20 0.35
DRD4 P21917 1/20 0.34
SLC6A4 P31645 1/20 0.34
SIGMAR1 Q99720 5/20 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
SCHEMBL8552905 0.90 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8644651 0.87 ITGB3 (0.41) HRH3ITGB3ITGA2BHTR7
SCHEMBL8593632 0.85 HTR2B (0.45) HRH3ITGB3ITGA2BSIGMAR1
SCHEMBL8552786 0.85 HTR2B (0.45) HRH3ITGB3ITGA2BSIGMAR1
SCHEMBL8553302 0.82 HRH3 (0.41) HRH3ITGB3ITGA2B
SCHEMBL8595580 0.79 HTR7 (0.34) HRH3HTR7DRD4SLC6A4
SCHEMBL8554007 0.79 HRH3 (0.42) HRH3ITGB3ITGA2BHTR7DRD4
SCHEMBL8356623 0.77 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1
SCHEMBL8550693 0.75 HTR2B (0.43) HRH3ITGB3ITGA2BSIGMAR1
SCHEMBL8552884 0.74 HTR2B (0.43) HRH3

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