SCHEMBL8093420

SCHEMBL8093420

CC(C)C(C(N)=O)(c1ccccc1)N1CCN(c2ccccc2)C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.45
CCKAR P32238 3/20 0.45
FPR2 P25090 1/20 0.37
F10 P00742 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 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
SCHEMBL7597322 0.80 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8090034 0.77 KMT2A (0.35) FPR2
SCHEMBL8095731 0.74 CCKBR (0.46) CCKBRCCKAR
SCHEMBL8093424 0.74 CCKBR (0.68) CCKBRCCKAR
SCHEMBL8081919 0.74 NPY1R (0.51) CCKBR
SCHEMBL8089866 0.73 CCKBR (0.41) CCKBRCCKAR
SCHEMBL9392486 0.73 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8401920 0.70 CCKBR (0.47) CCKBRCCKAR
SCHEMBL8089877 0.66 ALDH1A1 (0.39) CCKBRCCKAR
SCHEMBL8081891 0.65 ALDH1A1 (0.38) 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 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