SCHEMBL29456463

SCHEMBL29456463

CC#CCn1cnc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.64
FAP Q12884 9/20 0.64
CHRM1 P11229 2/20 0.60
POU2F2 P09086 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
POU2F1 P14859 1/20 0.60
CHRM3 P20309 1/20 0.60
HRH2 P25021 1/20 0.60
MC4R P32245 1/20 0.60
DPP8 Q6V1X1 1/20 0.60
DPP9 Q86TI2 1/20 0.60
GHSR Q92847 1/20 0.60
KCNH2 Q12809 2/20 0.56
POLB P06746 1/20 0.49
HIF1A Q16665 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
SCHEMBL20296912 1.00 DPP4 (0.64) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL17036591 0.86 DPP4 (0.72) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL3919837 0.84 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18344002 0.84 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18343936 0.84 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL12862005 0.84 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29350672 0.84 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL16416909 0.83 DPP4 (0.68) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15083818 0.80 DPP4 (0.85) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL4479213 0.80 DPP4 (0.62) DPP4FAPCHRM1POU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574463-B Rivastigmine intermediate compound IV 鲁南制药集团股份有限公司 2023-07-14 CN claimed
CN-111574520-B Riagliptin intermediate compound V 鲁南制药集团股份有限公司 2022-08-26 CN claimed
CN-114235972-B Method for determining content of linagliptin impurity RBP-1 乳源东阳光药业有限公司 2023-08-22 CN disclosed
CN-111574463-B Rivastigmine intermediate compound IV 鲁南制药集团股份有限公司 2023-07-14 CN disclosed
EP-4103157-A1 PHARMACEUTICAL COMPOSITION COMPRISING LINAGLIPTIN AND METFORMIN Zaklady Farmaceutyczne Polpharma S.A. (PL) 2022-12-21 EP disclosed
CN-111574520-B Riagliptin intermediate compound V 鲁南制药集团股份有限公司 2022-08-26 CN disclosed
CN-109705121-B Preparation method of linagliptin intermediate 深圳市第二人民医院 2022-04-01 CN disclosed
CN-114235972-A Method for determining linagliptin impurity RBP-1 content 乳源东阳光药业有限公司 2022-03-25 CN disclosed
CN-109761983-B Preparation method of linagliptin 深圳市第二人民医院 2022-03-04 CN disclosed