SCHEMBL4067942

SCHEMBL4067942

COc1ccc(N2CCC3(CCN(OC(=O)O)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.46
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4067940 0.84 ITGB3 (0.48) LIPEITGB3ITGA2BEGLN1
SCHEMBL4072092 0.84 ITGB3 (0.43) LIPEITGB3ITGA2B
SCHEMBL10057 0.83 LIPE (0.54) LIPEHRH3
SCHEMBL10058 0.83 LIPE (0.54) LIPEHRH3
SCHEMBL12701790 0.83 LIPE (0.54) LIPEHRH3
SCHEMBL6027715 0.79 HTR3E (0.50) LIPEEGLN1HRH3
SCHEMBL10270 0.78 EGLN1 (0.44) LIPEEGLN1
SCHEMBL1589331 0.78 EGLN1 (0.44) LIPEEGLN1
SCHEMBL10269 0.78 EGLN1 (0.44) LIPEEGLN1
SCHEMBL4072452 0.75 CYP3A4 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP claimed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP claimed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO claimed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed