SCHEMBL29196899

SCHEMBL29196899

O=C1CN(C(=O)C[CH]Cc2cc(F)c(F)cc2F)CCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.54
▸ DPP8 Q6V1X1 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL23272135 0.79 DPP4 (0.55) DPP4DPP8L3MBTL1DPP7TSHR
SCHEMBL29196914 0.79 DPP4 (0.55) DPP4DPP8L3MBTL1DPP7TSHR
SCHEMBL29196918 0.76 DPP4 (0.87) DPP4DPP8DPP7
SCHEMBL29196904 0.76 DPP4 (0.36) DPP4DPP8DPP7KCNH2
SCHEMBL29196926 0.76 DPP4 (0.36) DPP4DPP8DPP7KCNH2
SCHEMBL29196920 0.76 DPP4 (0.87) DPP4DPP8DPP7
SCHEMBL29196905 0.72 DPP4 (0.63) DPP4DPP8DPP7KCNH2
SCHEMBL29196907 0.72 DPP4 (0.63) DPP4DPP8DPP7KCNH2
SCHEMBL14919832 0.70 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL12233461 0.66 TSHR (0.63) DPP4DPP8L3MBTL1TSHRHSP90AA1

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
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