SCHEMBL302000

SCHEMBL302000

N#CC1CC(F)CN1C(=O)CNC12CC3CC(C1)CC(Nc1nc4ccccn4n1)(C3)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.59
PREP P48147 3/20 0.44
DPP8 Q6V1X1 5/20 0.43
DPP9 Q86TI2 4/20 0.43
GLMN Q92990 1/20 0.43
DPP7 Q9UHL4 3/20 0.42

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
SCHEMBL2852239 1.00 DPP4 (0.59) DPP4PREPDPP8DPP9GLMN
SCHEMBL2842214 0.88 DPP4 (0.58) DPP4PREPDPP8DPP9DPP7
SCHEMBL2844316 0.87 PREP (0.46) DPP4PREPDPP8DPP9GLMN
SCHEMBL2845578 0.86 DPP4 (0.42) DPP4DPP8DPP9GLMN
SCHEMBL2844518 0.83 DPP4 (0.69) DPP4PREPDPP8DPP9DPP7
SCHEMBL2847583 0.80 DPP4 (0.61) DPP4PREPDPP8DPP9GLMN
SCHEMBL2846098 0.76 DPP4 (0.42) DPP4PREPDPP8DPP9
SCHEMBL5802541 0.75 DPP4 (0.80) DPP4DPP8DPP9
SCHEMBL465003 0.75 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL5805098 0.75 DPP4 (0.80) DPP4DPP8DPP9

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