SCHEMBL8089891

SCHEMBL8089891

CC(C)N(C(=O)CN1CCN(c2ccccc2)C(=O)C(NC(=O)c2cc3ccccc3n2CC(=O)O)C1=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 9/20 0.54
CCKBR P32239 9/20 0.54
F10 P00742 7/20 0.42
F2 P00734 1/20 0.38

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
SCHEMBL8095851 0.83 ACE (0.46) CCKARCCKBRF10F2
SCHEMBL8089993 0.83 ACE (0.46) CCKARCCKBRF10F2
SCHEMBL7752993 0.82 CCKAR (0.78) CCKARCCKBR
SCHEMBL8089978 0.78 CCKBR (0.65) CCKARCCKBR
SCHEMBL8089888 0.77 F10 (0.41) CCKARCCKBRF10F2
SCHEMBL8093424 0.76 CCKBR (0.68) CCKARCCKBR
SCHEMBL8088994 0.75 CCKAR (0.45) CCKARCCKBRF10
SCHEMBL8783591 0.75 CCKBR (0.52) CCKARCCKBR
SCHEMBL7752712 0.73 CCKAR (0.73) CCKARCCKBR
SCHEMBL3960747 0.68 F10 (0.80) F10F2

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