SCHEMBL28636345

SCHEMBL28636345

Cc1nnc(N2CCCC(OC(N)=O)C2)n(Cc2cc(F)ccc2C#N)c1=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76
KCNH2 Q12809 1/20 0.49
FAP Q12884 1/20 0.49

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
SCHEMBL28636680 0.88 DPP4 (0.57) DPP4
SCHEMBL2020372 0.87 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL2020371 0.87 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL2201273 0.84 DPP4 (0.76) DPP4KCNH2FAP
Benzoic Acid SCHEMBL28645610 0.83 DPP4 (1.00) DPP4KCNH2FAP
SCHEMBL2022446 0.81 DPP4 (0.69) DPP4FAP
SCHEMBL2022448 0.81 DPP4 (0.69) DPP4FAP
SCHEMBL2024037 0.74 DPP4 (0.77) DPP4FAP
SCHEMBL2023363 0.74 DPP4 (0.77) DPP4
SCHEMBL2023360 0.74 DPP4 (0.77) 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