SCHEMBL4067940

SCHEMBL4067940

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.48
ITGA2B P08514 11/20 0.48
LIPE Q05469 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4067942 0.84 LIPE (0.46) ITGB3ITGA2BLIPEEGLN1
SCHEMBL744515 0.83 LIPE (0.64) ITGB3ITGA2BLIPE
SCHEMBL10057 0.82 LIPE (0.54) LIPE
SCHEMBL10058 0.82 LIPE (0.54) LIPE
SCHEMBL12701790 0.82 LIPE (0.54) LIPE
SCHEMBL4072091 0.82 ITGB3 (0.51) ITGB3ITGA2BLIPE
SCHEMBL759281 0.81 EGLN1 (0.53) ITGB3ITGA2BLIPEEGLN1
SCHEMBL6027715 0.81 HTR3E (0.50) LIPESMN1; SMN2EGLN1
SCHEMBL28409460 0.80 EGLN1 (0.45) ITGB3ITGA2BLIPEEGLN1
SCHEMBL21753321 0.78 ITGB3 (0.48) ITGB3ITGA2BEGLN1CYP2C9

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