SCHEMBL2585299

SCHEMBL2585299

CCCCC(C(N)=O)C(C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
CA1 P00915 6/20 0.52
EPHX1 P07099 1/20 0.41
SLC15A1 P46059 1/20 0.40
MAPK1 P28482 1/20 0.39
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
TP53 P04637 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL5035015 0.94 CA1 (0.45) CA2CA1EPHX1SLC1A2SLC1A1
SCHEMBL27728959 0.92 EPHX1 (0.47) CA2CA1EPHX1TP53
SCHEMBL14546504 0.86 CA1 (0.40) CA2CA1EPHX1SLC15A1SLC1A3
SCHEMBL15416197 0.86 CA1 (0.40) CA2CA1EPHX1SLC15A1SLC1A3
SCHEMBL7316786 0.84 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL7325930 0.84 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL9831486 0.84 CA2 (0.54) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL4391098 0.80 CA2 (0.54) CA2CA1EPHX1FDPS
SCHEMBL27539980 0.79 CA2 (0.48) CA2CA1EPHX1SLC15A1MAPK1
SCHEMBL4023785 0.78 CA1 (0.47) CA2CA1EPHX1MAPK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN claimed
CN-102952064-A Preparation method of medicine intermediate cis-ex-bicyclo[2.2.1]heptane-2.3-dicarboximide TIANJIN INST PHARM RESEARCH 2013-03-06 CN claimed
CN-101362751-B Tandospirone citrate, preparation method thereof, formulations and quality control method CHENGDU KERUIDE PHARMACEUTICAL INVEST LTD 2011-05-11 CN claimed
CN-101362751-A Tandospirone citrate, preparation method thereof, formulations and quality control method CHENGDU LVKAI PHARMACEUTICAL T (CN) 2009-02-11 CN claimed
CN-115611866-B Preparation method of tandospirone citrate 南京海纳医药科技股份有限公司 2024-04-23 CN disclosed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN disclosed
CN-115611866-A Preparation method of tandospirone citrate 南京海纳医药科技股份有限公司 2023-01-17 CN disclosed
EP-2563791-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
CN-102952064-A Preparation method of medicine intermediate cis-ex-bicyclo[2.2.1]heptane-2.3-dicarboximide TIANJIN INST PHARM RESEARCH 2013-03-06 CN disclosed
WO-2011136384-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
CN-101362751-B Tandospirone citrate, preparation method thereof, formulations and quality control method CHENGDU KERUIDE PHARMACEUTICAL INVEST LTD 2011-05-11 CN disclosed
CN-101362751-A Tandospirone citrate, preparation method thereof, formulations and quality control method CHENGDU LVKAI PHARMACEUTICAL T (CN) 2009-02-11 CN disclosed