SCHEMBL743382

SCHEMBL743382

CN(CCO)c1ncccc1S(=O)(=O)N1CCC2(CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 18/20 0.60
EGLN1 Q9GZT9 2/20 0.41

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
SCHEMBL747636 0.89 LIPE (0.67) LIPEEGLN1
SCHEMBL14217210 0.84 LIPE (0.72) LIPEEGLN1
SCHEMBL744867 0.83 LIPE (0.71) LIPEEGLN1
SCHEMBL3752294 0.82 LIPE (0.62) LIPEEGLN1
SCHEMBL3752817 0.82 LIPE (0.72) LIPEEGLN1
SCHEMBL748171 0.81 LIPE (0.68) LIPEEGLN1
SCHEMBL745795 0.81 LIPE (0.77) LIPE
SCHEMBL746926 0.81 LIPE (0.67) LIPEEGLN1
SCHEMBL745236 0.80 LIPE (0.58) LIPE
SCHEMBL3747148 0.80 LIPE (0.59) LIPEEGLN1

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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed