SCHEMBL28636680

SCHEMBL28636680

Cc1nnc(N2CCCC(OC(N)=O)C2)n(Cc2cc(F)ccc2Br)c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 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
SCHEMBL28636345 0.88 DPP4 (0.76) DPP4
SCHEMBL2023363 0.85 DPP4 (0.77) DPP4
SCHEMBL2023360 0.85 DPP4 (0.77) DPP4
SCHEMBL2200504 0.83 DPP4 (0.57) DPP4
SCHEMBL29037901 0.83 DPP4 (0.61) DPP4
SCHEMBL2024582 0.80 DPP4 (0.54) DPP4
SCHEMBL2024583 0.80 DPP4 (0.54) DPP4
SCHEMBL2024037 0.74 DPP4 (0.77) DPP4
SCHEMBL2024039 0.74 DPP4 (0.77) DPP4
SCHEMBL2020372 0.73 DPP4 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246817-B Crystal form beta of compound A benzoate, preparation method thereof and pharmaceutical composition containing crystal form beta 深圳信立泰药业股份有限公司 2024-06-18 CN disclosed
CN-113493435-B Amorphous compound A benzoate, preparation method thereof and pharmaceutical composition containing amorphous compound A benzoate 深圳信立泰药业股份有限公司 2024-01-26 CN disclosed
CN-115246817-A Crystal form beta of compound A benzoate, preparation method thereof and pharmaceutical composition containing crystal form 深圳信立泰药业股份有限公司 2022-10-28 CN disclosed
CN-113493435-A 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 2021-10-12 CN disclosed