SCHEMBL9040261

SCHEMBL9040261

COC(=O)c1cccc(NC(=O)NC2C=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.50
CCKAR P32238 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9040117 0.88 CCKBR (0.51) CCKBRCCKARALDH1A1
SCHEMBL9038467 0.87 CCKBR (0.56) CCKBRCCKARALDH1A1
SCHEMBL9039643 0.85 ALDH1A1 (0.42) CCKBRCCKARALDH1A1
SCHEMBL9039509 0.84 CCKBR (0.55) CCKBRCCKARALDH1A1
SCHEMBL9040095 0.83 CCKBR (0.59) CCKBRCCKARALDH1A1
SCHEMBL9039789 0.82 CCKBR (0.65) CCKBRCCKAR
SCHEMBL9039519 0.82 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9039128 0.82 CCKBR (0.73) CCKBR
SCHEMBL9040446 0.82 CCKBR (0.50) CCKBRCCKARALDH1A1
SCHEMBL9041497 0.80 CCKBR (0.71) 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