SCHEMBL4596067

SCHEMBL4596067

COc1cccc(C(O)CCNC(=O)OCC(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
AOC3 Q16853 2/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CASR P41180 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
BRD4 O60885 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL5069135 0.82 MTNR1A (0.62) MTNR1AMTNR1BL3MBTL1AOC3LMNA
SCHEMBL13997818 0.82 MTNR1A (0.53) MTNR1AMTNR1BL3MBTL1AOC3LMNA
SCHEMBL19407140 0.76 AOC3 (0.61) MTNR1AMTNR1BL3MBTL1AOC3CHRM2
SCHEMBL25496757 0.76 L3MBTL1 (0.51) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL3584798 0.74 L3MBTL1 (0.61) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL3584795 0.74 L3MBTL1 (0.61) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL27941337 0.73 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL18293363 0.73 AOC3 (0.65) MTNR1AMTNR1BL3MBTL1AOC3CHRM2
SCHEMBL10698060 0.73 L3MBTL1 (0.59) MTNR1AMTNR1BL3MBTL1AOC3CHRM2
SCHEMBL28053008 0.73 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1AOC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed