SCHEMBL28461817

SCHEMBL28461817

Cc1nnc(N2CCCC(NC(=O)O)C2C(C)(C)C)n(Cc2cc(F)ccc2C#N)c1=O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.60
CYP3A4 P08684 1/20 0.41

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
SCHEMBL28467364 0.88 DPP4 (0.44) DPP4CYP3A4
SCHEMBL2201273 0.81 DPP4 (0.76) DPP4CYP3A4
SCHEMBL2022448 0.77 DPP4 (0.69) DPP4
SCHEMBL2022446 0.77 DPP4 (0.69) DPP4
SCHEMBL2020372 0.75 DPP4 (1.00) DPP4
SCHEMBL2020371 0.75 DPP4 (1.00) DPP4
Benzoic Acid SCHEMBL28645610 0.74 DPP4 (1.00) DPP4CYP3A4
SCHEMBL28636345 0.73 DPP4 (0.76) DPP4
SCHEMBL2181463 0.70 DPP4 (0.61) DPP4CYP3A4
SCHEMBL2201252 0.68 DPP4 (0.57) DPP4CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349215-B Amorphous form of compound A benzoate, preparation method thereof and pharmaceutical composition containing amorphous form 深圳信立泰药业股份有限公司 2022-02-08 CN disclosed
CN-104803971-B Crystal form alpha of compound A mono benzoate, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2021-11-30 CN disclosed
CN-106349216-B Crystal form alpha of compound A, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2020-09-11 CN disclosed