SCHEMBL8563328

SCHEMBL8563328

Cc1cccc(NC(=O)NC2C(=O)C(c3ccccc3)c3ccccc3N(CCN3CCCCCC3)[N+]2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.49
DCUN1D1 Q96GG9 1/20 0.44

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
SCHEMBL8559320 0.69 CCKBR (0.49) CCKBR
SCHEMBL8920596 0.66 CCKBR (0.79) CCKBR
SCHEMBL19294806 0.65 L3MBTL1 (0.79)
SCHEMBL9544016 0.64 CCKBR (0.81) CCKBR
SCHEMBL8664216 0.63 CCKBR (0.46) CCKBR
SCHEMBL9039789 0.63 CCKBR (0.65) CCKBR
SCHEMBL9542996 0.63 CCKBR (0.71) CCKBR
SCHEMBL9541319 0.62 CCKBR (0.72) CCKBR
SCHEMBL9374336 0.62 CCKBR (1.00) CCKBR
SCHEMBL9368015 0.62 CCKBR (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP claimed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US claimed
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed