SCHEMBL28878378

SCHEMBL28878378

NC(=O)[C@@H]1CCCN1C(=O)C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
REN P00797 4/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
DPP4 P27487 1/20 0.37

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
SCHEMBL29091406 1.00 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL6582494 0.81 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL6582491 0.81 ACE (0.41) ACERENKDM4EF2LMNA
SCHEMBL5950374 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL10311710 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL10311685 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL7300736 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL14235325 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL22673059 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA
SCHEMBL7994236 0.80 DPP4 (0.58) ACERENKDM4EF2LMNA

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-115308325-B Method for detecting residual solvent of vildagliptin 海南通用三洋药业有限公司 2023-07-28 CN claimed
CN-115308325-A Method for detecting residual solvent of vildagliptin 海南通用三洋药业有限公司 2022-11-08 CN claimed
CN-115308325-B Method for detecting residual solvent of vildagliptin 海南通用三洋药业有限公司 2023-07-28 CN disclosed
CN-115308325-A Method for detecting residual solvent of vildagliptin 海南通用三洋药业有限公司 2022-11-08 CN disclosed