SCHEMBL13175394

SCHEMBL13175394

NC(CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCNC(=O)C3)c2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.69
DPP8 Q6V1X1 10/20 0.60
DPP7 Q9UHL4 3/20 0.58
DPP9 Q86TI2 2/20 0.58
ACE P12821 1/20 0.58
HTR2A P28223 1/20 0.58
FAP Q12884 1/20 0.58

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
SCHEMBL10160782 1.00 DPP4 (0.69) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2855593 0.99 DPP4 (0.69) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2855589 0.99 DPP4 (0.69) DPP4DPP8DPP7DPP9ACE
SCHEMBL10160765 0.90 DPP4 (0.73) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2858329 0.90 DPP4 (0.72) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2858326 0.90 DPP4 (0.72) DPP4DPP8DPP7DPP9ACE
SCHEMBL10160762 0.88 DPP4 (0.77) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2860850 0.87 DPP4 (0.76) DPP4DPP8DPP7DPP9ACE
Hydrochloric Acid SCHEMBL2860853 0.87 DPP4 (0.76) DPP4DPP8DPP7DPP9ACE
SCHEMBL10160735 0.86 DPP4 (0.77) DPP4DPP8DPP7DPP9ACE

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-A1 TETRAHYDRO-IMIDAZOÝ1,5-A¨PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-09-22 EP disclosed