SCHEMBL5164493

SCHEMBL5164493

Cc1cc2c(c(CN)c1-c1ccccc1Cl)NC(=O)[N]2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.39
DPP8 Q6V1X1 7/20 0.39
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
DPP9 Q86TI2 3/20 0.34
PLA2G7 Q13093 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28154281 0.62 DPP4 (0.53) DPP4DPP8PLA2G7
SCHEMBL4753134 0.62 CES1 (0.44) CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28845596 0.61 DPP4 (0.52) DPP4DPP8PLA2G7
SCHEMBL1995182 0.61 DPP4 (0.52) DPP4DPP8HSP90AA1
SCHEMBL28589830 0.61 PLA2G7 (0.48) CYP1A1CYP1A2PLA2G7TNKS2
SCHEMBL28110786 0.61 PLA2G7 (0.52) DPP4CYP1A1CYP1A2PLA2G7
SCHEMBL1999197 0.59 DPP4 (0.51) DPP4DPP8
SCHEMBL521542 0.59 PLA2G7 (0.50) DPP4CYP1A1CYP1A2PLA2G7
SCHEMBL9602432 0.59 DPP4 (0.50) DPP4DPP8CYP1A1CYP1A2DPP9
SCHEMBL2787484 0.59 CA1 (0.40)

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-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP claimed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO claimed