SCHEMBL31087651

SCHEMBL31087651

CCOC(=O)c1nc(C(F)(F)F)n2c1CNCC2C(=O)CC(=O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 11/20 0.37
▸ DPP8 Q6V1X1 7/20 0.33
▸ DPP7 Q9UHL4 4/20 0.33
▸ DPP9 Q86TI2 4/20 0.33
▸ KMT2A Q03164 2/20 0.30

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
SCHEMBL31087647 0.88 DPP4 (0.33) DPP4DPP8DPP7DPP9
SCHEMBL31087646 0.65 DPP4 (0.72) DPP4DPP8DPP7DPP9
SCHEMBL31699802 0.65 ALDH1A1 (0.43) DPP4KMT2A
SCHEMBL3514413 0.64 DPP4 (0.41) DPP4DPP8DPP7DPP9
SCHEMBL411643 0.63 GAA (0.44) DPP4KMT2A
SCHEMBL27791252 0.62 MGAM (0.33) DPP4KMT2A
SCHEMBL13175159 0.62 DPP4 (0.84) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL2854161 0.61 DPP4 (0.83) DPP4DPP8DPP7DPP9
SCHEMBL440648 0.60 NPSR1 (0.38) DPP4DPP9KMT2A
SCHEMBL30607053 0.60 NPSR1 (0.38) DPP4DPP9KMT2A

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-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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