SCHEMBL7564692

SCHEMBL7564692

CC(NC(=O)OC(C)(C)C)OC(=O)CC1CCc2ccccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
CALCRL Q16602 1/20 0.40
SCN9A Q15858 10/20 0.40
EPHX2 P34913 1/20 0.40
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL7571213 0.83 IDO1 (0.46) IDO1EPHX2CCKARCCKBR
SCHEMBL7565981 0.82 IDO1 (0.52) IDO1EPHX2CCKARCCKBR
SCHEMBL7543352 0.81 PYGL (0.38) IDO1DDB1CRBN
SCHEMBL11118089 0.81 PYGL (0.38) DDB1CRBN
SCHEMBL11133817 0.81 IDO1 (0.51) IDO1EPHX2CCKARCCKBR
SCHEMBL29481025 0.76 PYGL (0.50) IDO1SCN9AEPHX2
SCHEMBL7564705 0.74 IDO1 (0.46) IDO1CALCRLSCN9AEPHX2CCKAR
SCHEMBL1269023 0.74 EPHX2 (0.56) EPHX2
SCHEMBL5640963 0.74 EPHX2 (0.56) EPHX2
SCHEMBL1269022 0.74 EPHX2 (0.56) EPHX2

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