SCHEMBL16258155

SCHEMBL16258155

C=C(O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
DPP8 Q6V1X1 6/20 0.49
DPP9 Q86TI2 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
ACE P12821 1/20 0.49
HTR2A P28223 1/20 0.49
FAP Q12884 1/20 0.49

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
SCHEMBL411662 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3103194 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL30692304 0.94 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL27769993 0.93 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL27769994 0.93 DPP4 (0.62) DPP4DPP8DPP9DPP7ACE
SCHEMBL16258146 0.93 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL2859601 0.92 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL2859596 0.92 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3109149 0.92 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL3109141 0.92 DPP4 (0.67) 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
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