SCHEMBL7565993

SCHEMBL7565993

CCOC(=O)C(NC(=O)OC(C)(C)C)C1CC(O)c2ccccc2NC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.52
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.39
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
TDO2 P48775 3/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPK10 P53779 1/20 0.35
EPHX2 P34913 1/20 0.35
CALCRL Q16602 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7571221 0.82 IDO1 (0.46) IDO1ALDH1A1MAPTL3MBTL1CTSL
SCHEMBL7564705 0.82 IDO1 (0.46) IDO1ALDH1A1MAPTL3MBTL1CTSL
SCHEMBL11118986 0.78 IDO1 (0.46) IDO1ALDH1A1MAPTL3MBTL1CTSL
SCHEMBL7565981 0.75 IDO1 (0.52) IDO1ALDH1A1MAPTL3MBTL1CTSL
SCHEMBL13783987 0.75 IDO1 (0.50) IDO1ALDH1A1MAPTL3MBTL1CCKAR
SCHEMBL31758027 0.74 DRD2 (0.41) IDO1ALDH1A1MAPTCTSL
SCHEMBL31757665 0.74 DRD2 (0.41) IDO1ALDH1A1MAPTCTSL
SCHEMBL18815112 0.72 IDO1 (0.40) IDO1ALDH1A1MAPTCTSLEPHX2
SCHEMBL30693758 0.69 IDO1 (0.82) IDO1CCKARCCKBRTDO2
SCHEMBL27349526 0.69 IDO1 (0.82) IDO1CCKARCCKBRTDO2

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-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed