SCHEMBL3909552

SCHEMBL3909552

CC1(C(=O)CN2C(=O)N(CC(=O)Nc3cccc(-c4nc(=O)o[nH]4)c3)N=C(C3CCCCC3)c3ccccc32)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.63
CCKAR P32238 13/20 0.63

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
SCHEMBL3911300 0.90 CCKBR (0.78) CCKBRCCKAR
SCHEMBL3914711 0.90 CCKBR (0.78) CCKBRCCKAR
SCHEMBL3911925 0.90 CCKBR (0.78) CCKBRCCKAR
SCHEMBL3918458 0.84 CCKBR (0.81) CCKBRCCKAR
SCHEMBL3911686 0.83 CCKBR (0.79) CCKBRCCKAR
SCHEMBL3910962 0.83 CCKBR (0.79) CCKBRCCKAR
SCHEMBL3919335 0.81 CCKBR (0.80) CCKBRCCKAR
SCHEMBL4505102 0.80 CCKBR (0.63) CCKBRCCKAR
SCHEMBL3915800 0.77 CCKBR (0.55) CCKBRCCKAR
SCHEMBL3909599 0.77 CCKBR (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed