SCHEMBL4072092

SCHEMBL4072092

O=C(O)ON1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
LIPE Q05469 9/20 0.41
METAP2 P50579 2/20 0.40
EBP Q15125 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
SCHEMBL4067942 0.84 LIPE (0.46) ITGB3ITGA2BLIPE
SCHEMBL4072091 0.82 ITGB3 (0.51) ITGB3ITGA2BLIPEMETAP2
SCHEMBL18208417 0.80 HRH3 (0.52) LIPEEBP
SCHEMBL20103121 0.78 HRH3 (0.48) ITGB3ITGA2BLIPEEBP
SCHEMBL18208920 0.77 EBP (0.44) ITGB3ITGA2BLIPEEBP
SCHEMBL12342523 0.76 HRH3 (0.45) ITGB3ITGA2BLIPEEBP
Hydrochloric Acid SCHEMBL2336913 0.74 HRH3 (0.44) ITGB3ITGA2BLIPEEBP
SCHEMBL20205235 0.74 LIPE (0.52) LIPEEBP
SCHEMBL17328518 0.73 METAP2 (0.56) METAP2
SCHEMBL17328532 0.73 METAP2 (0.56) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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