SCHEMBL8093424

SCHEMBL8093424

CC(C)N(C(=O)CN1CCN(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C1=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.68
CCKAR P32238 11/20 0.68

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
SCHEMBL8089978 0.93 CCKBR (0.65) CCKBRCCKAR
SCHEMBL3890199 0.81 CCKAR (1.00) CCKBRCCKAR
SCHEMBL29440045 0.81 CCKAR (1.00) CCKBRCCKAR
SCHEMBL23777550 0.81 CCKAR (1.00) CCKBRCCKAR
SCHEMBL8089891 0.76 CCKAR (0.54) CCKBRCCKAR
SCHEMBL8081918 0.74 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8095729 0.74 CCKAR (0.67) CCKBRCCKAR
SCHEMBL8784568 0.74 NPY1R (0.59) CCKBRCCKAR
SCHEMBL8784561 0.74 NPY1R (0.59) CCKBRCCKAR
SCHEMBL8089889 0.74 NPY1R (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096885-A EXHIBIT AGONIST ACTIVITY FOR CCK-A RECEPTORS THEREBY ENABLING THEM TO MODULATE THE HORMONES GASTRIN AND CHOLECYSTOKININ IN MAMMALS. GLAXO WELLCOME INC. (US) 2000-08-01 US disclosed
EP-0785944-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1997-07-30 EP disclosed
WO-1996011940-A1 ACYL AMINO ACETAMIDE DERIVATIVES WITH AGONIST ACTIVITY FOR CCK-A RECEPTORS GLAXO WELLCOME INC. (US) 1996-04-25 WO disclosed