SCHEMBL9040430

SCHEMBL9040430

CCOC(=O)CN1C(=O)C(NC(=O)Nc2cccc(CC(=O)OC(C)(C)C)c2)C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.51
CCKAR P32238 2/20 0.45
NPY1R P25929 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
SCHEMBL9040541 0.92 CCKBR (0.57) CCKBRCCKARNPY1R
SCHEMBL9041020 0.92 CCKBR (0.54) CCKBRCCKAR
SCHEMBL9040062 0.87 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9039602 0.87 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9038942 0.85 CCKBR (0.59) CCKBRCCKAR
SCHEMBL9038983 0.84 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9042109 0.84 CCKBR (0.56) CCKBRCCKARNPY1R
SCHEMBL9040859 0.84 CCKBR (0.58) CCKBRCCKAR
SCHEMBL9038805 0.84 CCKBR (0.63) CCKBRCCKAR
SCHEMBL9040311 0.82 CCKBR (0.51) CCKBRCCKAR

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-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 EP disclosed