SCHEMBL30515475

SCHEMBL30515475

CC/C=C(\N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.38
DPP7 Q9UHL4 4/20 0.30
DPP8 Q6V1X1 3/20 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
SCHEMBL28400680 0.82 DPP4 (0.41) DPP4
SCHEMBL28403160 0.82 DPP4 (0.41) DPP4
SCHEMBL22484240 0.82 DPP4 (0.41) DPP4
SCHEMBL13780810 0.75 DPP4 (0.36) DPP4DPP7DPP8
SCHEMBL749409 0.73 HDAC1 (0.35) DPP4DPP7DPP8
SCHEMBL749410 0.73 HDAC1 (0.35) DPP4DPP7DPP8
SCHEMBL749408 0.73 HDAC1 (0.35) DPP4DPP7DPP8
SCHEMBL30136575 0.73 HDAC1 (0.35) DPP4DPP7DPP8
SCHEMBL440648 0.73 NPSR1 (0.38) DPP4
SCHEMBL30607053 0.73 NPSR1 (0.38) DPP4

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-115819260-B Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2024-03-19 CN disclosed
CN-116514656-A Synthesis process of sitagliptin intermediate 江苏阿尔法药业股份有限公司 2023-08-01 CN disclosed