SCHEMBL7919249

SCHEMBL7919249

Cc1nnc2n1CCN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
DPP8 Q6V1X1 9/20 0.54
DPP9 Q86TI2 3/20 0.53
DPP7 Q9UHL4 2/20 0.52
ACE P12821 1/20 0.52
HTR2A P28223 1/20 0.52
FAP Q12884 1/20 0.52

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
SCHEMBL5935838 0.90 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL29361968 0.90 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL15344691 0.90 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL30535978 0.90 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL3715380 0.90 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL1509255 0.90 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL5266044 0.89 DPP4 (0.70) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935836 0.88 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL5935877 0.88 DPP4 (0.72) DPP4DPP8DPP9DPP7ACE
SCHEMBL20008504 0.85 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010078440-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. (US) 2010-07-08 WO disclosed