SCHEMBL9040311

SCHEMBL9040311

Cc1ccc(NC(=O)NC2C=C(c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.51
CCKAR P32238 2/20 0.45
ALDH1A1 P00352 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
SCHEMBL9039585 0.92 CCKBR (0.61) CCKBR
SCHEMBL9041035 0.91 CCKBR (0.51) CCKBRCCKAR
SCHEMBL9040062 0.91 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9040039 0.89 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9039782 0.88 CCKBR (0.49) CCKBRCCKARALDH1A1
SCHEMBL9040489 0.88 CCKBR (0.47) CCKBRCCKAR
SCHEMBL9039757 0.87 CCKBR (0.58) CCKBRCCKARALDH1A1
SCHEMBL9038805 0.86 CCKBR (0.63) CCKBRCCKAR
SCHEMBL9041968 0.85 CCKBR (0.50) CCKBR
SCHEMBL9040541 0.85 CCKBR (0.57) 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