SCHEMBL9039602

SCHEMBL9039602

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.57
CCKAR P32238 5/20 0.54
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL9038942 0.92 CCKBR (0.59) CCKBRCCKAR
SCHEMBL9038983 0.91 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9040039 0.90 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9041020 0.90 CCKBR (0.54) CCKBRCCKAR
SCHEMBL9038776 0.90 CCKAR (0.57) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9040062 0.90 CCKBR (0.62) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9040863 0.89 CCKBR (0.61) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9040430 0.87 CCKBR (0.51) CCKBRCCKAR
SCHEMBL4624938 0.86 CYP3A4 (0.71) CCKBRCCKARCYP3A4MAPTTSHR
SCHEMBL9039704 0.85 CCKBR (0.60) CCKBRCCKARCYP3A4MAPTTSHR

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