SCHEMBL8095874

SCHEMBL8095874

COc1ccc(N(C(=O)CN2C(=O)C(N)C(C)(C)Sc3ccccc32)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.51
CCKBR P32239 13/20 0.51

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
SCHEMBL8093415 0.89 CCKAR (0.49) CCKARCCKBR
SCHEMBL8081885 0.78 CCKAR (0.55) CCKARCCKBR
SCHEMBL8401890 0.78 CCKAR (0.53) CCKARCCKBR
SCHEMBL8405020 0.77 CCKAR (0.56) CCKARCCKBR
SCHEMBL7751752 0.76 CCKAR (0.70) CCKARCCKBR
SCHEMBL8405715 0.74 CCKAR (0.51) CCKARCCKBR
SCHEMBL8402034 0.74 CCKAR (0.57) CCKARCCKBR
SCHEMBL8402276 0.73 CCKAR (0.59) CCKARCCKBR
SCHEMBL7752163 0.73 CCKAR (0.68) CCKARCCKBR
SCHEMBL8404998 0.73 CCKAR (0.55) CCKARCCKBR

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