SCHEMBL2555253

SCHEMBL2555253

CC(C)(C)OC(=O)NCC(=O)N(CCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
DPP8 Q6V1X1 6/20 0.51
DPP9 Q86TI2 2/20 0.51
ACE P12821 1/20 0.51
HTR2A P28223 1/20 0.51
FAP Q12884 1/20 0.51
DPP7 Q9UHL4 1/20 0.51

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
SCHEMBL572077 0.87 DPP4 (0.51) DPP4DPP8DPP9ACEHTR2A
SCHEMBL572707 0.81 DPP4 (0.46) DPP4DPP8DPP9ACEHTR2A
SCHEMBL25937808 0.79 DPP4 (0.49) DPP4DPP8DPP9ACEHTR2A
SCHEMBL12285638 0.79 DPP4 (0.71) DPP4DPP8DPP9ACEHTR2A
SCHEMBL29361968 0.76 DPP4 (0.72) DPP4DPP8DPP9ACEHTR2A
SCHEMBL30535978 0.76 DPP4 (0.72) DPP4DPP8DPP9ACEHTR2A
SCHEMBL1509255 0.76 DPP4 (0.72) DPP4DPP8DPP9ACEHTR2A
SCHEMBL3715380 0.76 DPP4 (0.72) DPP4DPP8DPP9ACEHTR2A
SCHEMBL2552198 0.76 DPP4 (0.72) DPP4DPP8DPP9ACEHTR2A
SCHEMBL14550110 0.75 DPP4 (0.60) DPP4DPP8DPP9ACEHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555617-A1 NOVEL HYPOGLYCEMIC COMPOUNDS Cadila Pharmaceuticals Limited (IN) 2013-02-13 EP disclosed
WO-2011125011-A1 NOVEL HYPOGLYCEMIC COMPOUNDS CADILA PHARMACEUTICALS LIMITED (IN) 2011-10-13 WO disclosed