SCHEMBL31087646

SCHEMBL31087646

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.72
▸ PARP1 P09874 1/20 0.48
▸ DPP8 Q6V1X1 5/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ ACE P12821 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ FAP Q12884 1/20 0.42

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
Retagliptin SCHEMBL30438226 0.84 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL193600 0.84 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL193599 0.84 DPP4 (1.00) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL2862766 0.83 DPP4 (0.98) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL2862768 0.83 DPP4 (0.98) DPP4DPP8DPP9DPP7ACE
SCHEMBL20008503 0.83 DPP4 (0.80) DPP4PARP1DPP8DPP9DPP7
SCHEMBL20011371 0.83 DPP4 (0.79) DPP4PARP1DPP8DPP9DPP7
Retagliptin SCHEMBL29173486 0.81 DPP4 (0.94) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL30374452 0.81 DPP4 (0.94) DPP4DPP8DPP9DPP7ACE
Retagliptin SCHEMBL29637737 0.81 DPP4 (0.94) 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
CN-118547024-B Ragliptin intermediate, preparation method and application thereof Yikelai Biotechnology (Group) Co.,Ltd. (CN) 2026-05-26 — — CN disclosed
CN-118547024-A Ragliptin intermediate, preparation method and application thereof 弈柯莱生物科技(集团)股份有限公司 2024-08-27 — — CN disclosed
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