SCHEMBL8095731

SCHEMBL8095731

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.46
CCKAR P32238 2/20 0.41
NPY1R P25929 3/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8081919 0.86 NPY1R (0.51) CCKBRNPY1R
SCHEMBL8089866 0.85 CCKBR (0.41) CCKBRCCKARNPY1RALDH1A1
SCHEMBL7597322 0.81 CCKBR (0.58) CCKBRCCKAR
SCHEMBL6906918 0.75 AADAT (0.36) ALDH1A1
SCHEMBL8095729 0.75 CCKAR (0.67) CCKBRCCKARALDH1A1
SCHEMBL8093420 0.74 CCKBR (0.45) CCKBRCCKAR
SCHEMBL9392486 0.73 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8081891 0.73 ALDH1A1 (0.38) CCKBRALDH1A1
SCHEMBL8089877 0.72 ALDH1A1 (0.39) CCKBRCCKARALDH1A1
SCHEMBL8401920 0.71 CCKBR (0.47) 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