SCHEMBL17210363

SCHEMBL17210363

Cc1cc(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(F)cc1F

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.86
▸ DPP8 Q6V1X1 11/20 0.86
▸ DPP9 Q86TI2 3/20 0.86
▸ DPP7 Q9UHL4 3/20 0.86
▸ ACE P12821 1/20 0.86
▸ HTR2A P28223 1/20 0.86
▸ FAP Q12884 1/20 0.86

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
SCHEMBL19189334 0.96 DPP4 (0.86) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29365085 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL29421658 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL19520418 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL17783 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL174489 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL31513245 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1289311 0.92 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1896426 0.92 DPP4 (0.94) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL1533793 0.92 DPP4 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019186260-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HIKAL LIMITED (IN) 2019-10-03 — — WO disclosed
WO-2015162506-A1 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND NOVEL INTERMEDIATES SUVEN LIFE SCIENCES LIMITED (IN) 2015-10-29 — — WO disclosed
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