SCHEMBL8089889

SCHEMBL8089889

CC(C)N(C(=O)CN1CCCC[C@H](NC(=O)Nc2ccccc2)C1=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.59
CCKAR P32238 12/20 0.54
CCKBR P32239 12/20 0.54
XIAP P98170 1/20 0.49
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
F10 P00742 2/20 0.45

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
SCHEMBL8784561 1.00 NPY1R (0.59) NPY1RCCKARCCKBRXIAPMME
SCHEMBL8784568 1.00 NPY1R (0.59) NPY1RCCKARCCKBRXIAPMME
SCHEMBL8089978 0.80 CCKBR (0.65) CCKARCCKBR
SCHEMBL8081904 0.79 CCKBR (0.63) NPY1RCCKARCCKBR
SCHEMBL8081898 0.78 ALDH1A1 (0.45) CCKARCCKBRMMEACE
SCHEMBL8095851 0.78 ACE (0.46) CCKARCCKBRXIAPMMEACE
SCHEMBL8089993 0.78 ACE (0.46) CCKARCCKBRXIAPMMEACE
SCHEMBL8089886 0.76 ALDH1A1 (0.43) CCKARCCKBRACE
SCHEMBL8088994 0.74 CCKAR (0.45) CCKARCCKBRXIAPMMEACE
SCHEMBL8089882 0.74 CCKAR (0.62) CCKARCCKBRMMEACE

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 4 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 claimed
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