SCHEMBL29339196

SCHEMBL29339196

COCC1CC(N=[N+]=[N-])CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
ANPEP P15144 2/20 0.45
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
DPP7 Q9UHL4 4/20 0.35
NR1H2 P55055 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL31750403 1.00 MMP2 (0.45) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13663628 1.00 MMP2 (0.45) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL31751090 0.88 MMP2 (0.45) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13494363 0.88 MMP2 (0.41) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13662050 0.88 MMP2 (0.41) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL18309960 0.87 MMP2 (0.44) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL14069514 0.87 MMP2 (0.44) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL19914160 0.87 MMP2 (0.44) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL15482307 0.87 MMP2 (0.44) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL13558441 0.87 MMP2 (0.44) MMP2ANPEPDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed