SCHEMBL16258151

SCHEMBL16258151

COC(=O)c1nc(C(F)(F)F)n2c1[C@@H](N)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.69
DPP8 Q6V1X1 13/20 0.58
DPP7 Q9UHL4 12/20 0.57
DPP9 Q86TI2 8/20 0.55

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
SCHEMBL10160868 0.92 DPP4 (0.69) DPP4DPP8DPP7DPP9
SCHEMBL13175152 0.92 DPP4 (0.69) DPP4DPP8DPP7DPP9
SCHEMBL10160870 0.92 DPP4 (0.69) DPP4DPP8DPP7DPP9
SCHEMBL10160873 0.92 DPP4 (0.69) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2853313 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2856918 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL27791230 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2853314 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2853310 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2859585 0.91 DPP4 (0.68) DPP4DPP8DPP7DPP9

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-2230241-B1 TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-11-26 EP disclosed