SCHEMBL24713208

SCHEMBL24713208

O=C(CC(=O)N1CCn2c(nnc2OC(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.50
▸ DPP8 Q6V1X1 9/20 0.50
▸ DPP9 Q86TI2 3/20 0.50
▸ DPP7 Q9UHL4 2/20 0.50
▸ ACE P12821 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ FAP Q12884 1/20 0.50

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
SCHEMBL29558815 0.85 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL214373 0.85 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL13472178 0.83 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL13637939 0.82 DPP4 (0.55) DPP4DPP8DPP9DPP7ACE
Sitagliptin SCHEMBL3513247 0.77 DPP4 (0.86) DPP4DPP8DPP9DPP7ACE
SCHEMBL25840245 0.76 DPP4 (0.57) DPP4DPP8DPP9DPP7ACE
SCHEMBL3793968 0.74 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3793975 0.74 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL28452793 0.74 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL4535123 0.73 DPP4 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257686-A1 TRANSAMINASE, IMMOBILIZED TRANSAMINASE AND USE FOR PREPARING SITAGLIPTIN 弈柯莱生物科技(上海)股份有限公司 2022-12-15 — — WO disclosed
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