SCHEMBL8054587

SCHEMBL8054587

CC(=O)NCCOC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
PAOX Q6QHF9 3/20 0.45
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
ADRA1A P35348 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
SCHEMBL20954435 0.85 MTNR1A (0.47) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL9853199 0.85 MTNR1A (0.50) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL11923029 0.81 MTNR1A (0.47) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL26009556 0.81 MTNR1A (0.47) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL6037070 0.81 CA2 (0.39) MTNR1AMTNR1BKDM4ETSHRSMN1; SMN2
SCHEMBL27853186 0.79 MTNR1A (0.50) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL20123390 0.79 PAOX (0.45) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL28337342 0.78 MAPK1 (0.46) MTNR1AMTNR1BPAOXMAPK1KDM4E
SCHEMBL18295824 0.78
SCHEMBL279485 0.78 MAPK1 (0.50) MTNR1AMTNR1BPAOXMAPK1KDM4E

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
EP-1015011-A1 PEPTIDE NUCLEIC ACIDS HAVING ANTIBACTERIAL ACTIVITY NIELSEN, Peter Eigil (DK) 2000-07-05 EP claimed
WO-1999013893-A1 PEPTIDE NUCLEIC ACIDS HAVING ANTIBACTERIAL ACTIVITY ISIS PHARMACEUTICALS, INC. (US) 1999-03-25 WO claimed
EP-0699208-A1 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN, Peter Eigil (DK) 1996-03-06 EP disclosed
WO-1994025477-A2 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN PETER E (DK) 1994-11-10 WO disclosed