SCHEMBL301976

SCHEMBL301976

N#CC1CC(F)(F)CN1C(=O)CNC12CC3CC(C1)CC(NC(=O)/C=C/c1ccccc1)(C3)C2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 4/20 0.45
PREP P48147 3/20 0.45
DPP4 P27487 8/20 0.45
DPP9 Q86TI2 9/20 0.43
DPP8 Q6V1X1 8/20 0.43
PITRM1 Q5JRX3 1/20 0.43
GLMN Q92990 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
SCHEMBL2849687 1.00 FAP (0.45) FAPPREPDPP4DPP9DPP8
SCHEMBL2849682 1.00 FAP (0.45) FAPPREPDPP4DPP9DPP8
SCHEMBL3526857 0.92 FAP (0.42) FAPPREPDPP4DPP9DPP8
SCHEMBL3526856 0.92 FAP (0.42) FAPPREPDPP4DPP9DPP8
SCHEMBL301874 0.80 FAP (0.47) FAPPREPDPP4DPP9DPP8
SCHEMBL2842224 0.79 FAP (0.54) FAPPREPDPP4DPP9DPP8
SCHEMBL5748938 0.78 PREP (0.47) FAPPREPDPP4DPP9DPP8
SCHEMBL2847963 0.78 PREP (0.47) FAPPREPDPP4DPP9DPP8
SCHEMBL2852307 0.78 DPP4 (0.49) FAPPREPDPP4DPP9DPP8
SCHEMBL2851493 0.78 PREP (0.49) FAPPREPDPP4DPP9DPP8

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
JP-4853965-B2 2012-01-11 JP claimed
JP-2007504120-A 2007-03-01 JP claimed
EP-1664031-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS Sanofi-Aventis (FR) 2006-06-07 EP claimed
WO-2005021536-A2 ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS SANOFI-AVENTIS (FR) 2005-03-10 WO claimed