SCHEMBL5739110

SCHEMBL5739110

COc1cccc(C(=O)Cn2ccc3nc(N4CCC[C@@H](NC(=O)O)C4)n(Cc4ccccc4Cl)c3c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.47
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL14505023 0.92 DPP4 (0.52) DPP4MAPK1
SCHEMBL5434345 0.91 DPP4 (0.46) DPP4
SCHEMBL5739175 0.87 DPP4 (0.47) DPP4
SCHEMBL5441266 0.87 DPP4 (0.51) DPP4CYP3A4
SCHEMBL5433097 0.86 DPP4 (0.46) DPP4CYP3A4MAPK1
SCHEMBL5439748 0.85 DPP4 (0.50) DPP4
SCHEMBL14504962 0.85 DPP4 (0.47) DPP4
SCHEMBL5436228 0.83 DPP4 (0.46) DPP4
SCHEMBL5428421 0.81 DPP4 (0.51) DPP4
SCHEMBL5739021 0.81 DPP4 (0.51) DPP4

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
EP-1690863-A1 NOVEL CONDENSED IMIDAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-16 EP disclosed