SCHEMBL8553297

SCHEMBL8553297

O=C(O)C1CCN(C(=O)C2CN(N3CCN(c4ccncc4)CC3)C(=O)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
LSS P48449 2/20 0.42
AKR1C3 P42330 1/20 0.41
CHRM1 P11229 7/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL8356608 0.90 AKR1C3 (0.38) ITGB3ITGA2BLSSAKR1C3
SCHEMBL8553302 0.87 HRH3 (0.41) ITGB3ITGA2BLSSCHRM1HRH3
SCHEMBL8357011 0.83 ITGB3 (0.46) ITGB3ITGA2BLSSAKR1C3CHRM1
SCHEMBL8644651 0.80 ITGB3 (0.41) ITGB3ITGA2BHRH3
SCHEMBL8838123 0.74 ITGB3 (0.70) ITGB3ITGA2BLSSAKR1C3
SCHEMBL742952 0.74 ITGB3 (0.60) ITGB3ITGA2BLSSAKR1C3
SCHEMBL8356522 0.73 NOTUM (0.38) ITGB3ITGA2BLSSAKR1C3
SCHEMBL8356556 0.73 HRH3 (0.39) ITGB3ITGA2BLSSHRH3
Hydrochloric Acid SCHEMBL3319271 0.72 ITGB3 (0.59) ITGB3ITGA2BLSSAKR1C3HRH3
SCHEMBL8356623 0.72 ITGB3 (0.38) ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1195348-A New oxazolidinone derivatives, process for preparing same and medicaments contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1998-10-07 CN disclosed
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