SCHEMBL744114

SCHEMBL744114

CCN(C(=O)N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 19/20 0.56
METAP2 P50579 1/20 0.45

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
SCHEMBL746141 0.95 LIPE (0.61) LIPEMETAP2
SCHEMBL745199 0.91 LIPE (0.58) LIPE
SCHEMBL746967 0.88 LIPE (0.54) LIPEMETAP2
SCHEMBL746787 0.86 LIPE (0.55) LIPEMETAP2
SCHEMBL748194 0.85 LIPE (0.64) LIPEMETAP2
SCHEMBL747085 0.82 LIPE (0.61) LIPE
SCHEMBL744163 0.81 LIPE (0.63) LIPEMETAP2
SCHEMBL747427 0.80 LIPE (0.64) LIPE
SCHEMBL744714 0.80 LIPE (0.52) LIPEMETAP2
SCHEMBL745769 0.80 LIPE (0.61) LIPEMETAP2

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 5 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
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
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