SCHEMBL28998570

SCHEMBL28998570

CC(=O)NCC1CN(c2ccccc2N2CCOCC2)C(=O)O1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.68
MAOA P21397 4/20 0.68
PTGS1 P23219 2/20 0.68
SDHA P31040 2/20 0.68
LMNA P02545 1/20 0.68
CALML3 P27482 1/20 0.68
F10 P00742 8/20 0.51
MTNR1A P48039 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27801851 1.00 MAOB (0.68) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6099168 0.86 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2406825 0.85 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2406832 0.85 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL2591003 0.85 MAOB (0.67) MAOBMAOAPTGS1SDHALMNA
SCHEMBL27801854 0.85 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5431183 0.85 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14069864 0.84 MAOA (0.53) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7537310 0.84 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7083563 0.84 MAOA (0.55) MAOBMAOAPTGS1SDHALMNA

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
CN-115902018-A Detection method of linezolid isomer 江苏晨牌药业集团股份有限公司 2023-04-04 CN disclosed