SCHEMBL8352452

SCHEMBL8352452

CC1C(CN2CCC(C(=O)O)CC2)OC(=O)N1N1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.39
ITGA2B P08514 13/20 0.39
HTR7 P34969 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
AKR1C3 P42330 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LSS P48449 1/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 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
SCHEMBL8554007 0.88 HRH3 (0.42) ITGB3ITGA2BHTR7HRH3
SCHEMBL8352849 0.84 ITGB3 (0.39) ITGB3ITGA2BHRH3L3MBTL1LSS
SCHEMBL8644651 0.78 ITGB3 (0.41) ITGB3ITGA2BHTR7HRH3F10
SCHEMBL8355474 0.77 ITGB3 (0.38) ITGB3ITGA2BHTR7L3MBTL1LSS
SCHEMBL8355447 0.77 POLB (0.38) ITGB3ITGA2BAKR1C3L3MBTL1F10
SCHEMBL8356687 0.76 HTR7 (0.36) ITGB3ITGA2BHTR7HRH3LSS
SCHEMBL7345827 0.76 HTR7 (0.39) ITGB3ITGA2BHTR7HRH3
SCHEMBL8352568 0.75 S1PR5 (0.37) ITGB3ITGA2BHTR7LSSF10
SCHEMBL8357014 0.75 LSS (0.39) ITGB3ITGA2BL3MBTL1LSSF10
SCHEMBL8355470 0.73 F10 (0.36) ITGB3ITGA2BHTR7F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed
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