SCHEMBL29196920

SCHEMBL29196920

NC(CC(=O)N1CCNC(=O)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.87
DPP8 Q6V1X1 4/20 0.87
DPP7 Q9UHL4 4/20 0.66

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
SCHEMBL29196918 1.00 DPP4 (0.87) DPP4DPP8DPP7
SCHEMBL21985110 0.84 DPP4 (0.88) DPP4DPP8DPP7
SCHEMBL21985109 0.84 DPP4 (0.88) DPP4DPP8DPP7
SCHEMBL29196905 0.84 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL29196907 0.84 DPP4 (0.63) DPP4DPP8DPP7
SCHEMBL13175394 0.82 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL10160782 0.82 DPP4 (0.69) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL2855589 0.81 DPP4 (0.69) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL2855593 0.81 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL24244598 0.80 DPP4 (0.79) DPP4DPP8DPP7

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
CN-117720540-A Sitagliptin intermediate and preparation method of sitagliptin 宜昌东阳光制药有限公司 2024-03-19 CN disclosed