SCHEMBL9039128

SCHEMBL9039128

COc1cccc(NC(=O)NC2C=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.73

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
SCHEMBL9039519 0.91 CCKBR (0.60) CCKBR
SCHEMBL9039789 0.90 CCKBR (0.65) CCKBR
SCHEMBL9040114 0.88 CCKBR (0.59) CCKBR
SCHEMBL9038467 0.86 CCKBR (0.56) CCKBR
SCHEMBL9040629 0.86 CCKBR (0.57) CCKBR
SCHEMBL9038983 0.85 CCKBR (0.64) CCKBR
SCHEMBL9040095 0.85 CCKBR (0.59) CCKBR
SCHEMBL9041762 0.85 CYP3A4 (0.58) CCKBR
SCHEMBL9041504 0.85 CCKBR (0.54) CCKBR
SCHEMBL9039590 0.85 CCKBR (0.73) CCKBR

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