SCHEMBL8081891

SCHEMBL8081891

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)CN(C(=O)Nc2cccc(C(=O)O)c2)C(c2ccccc2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CCKBR P32239 1/20 0.33
LHCGR P22888 1/20 0.33
PARP14 Q460N5 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8089877 0.90 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AHTT
SCHEMBL8095731 0.73 CCKBR (0.46) ALDH1A1CCKBR
SCHEMBL7597322 0.70 CCKBR (0.58) CCKBR
SCHEMBL8089866 0.70 CCKBR (0.41) ALDH1A1HTTCCKBR
SCHEMBL8785303 0.65 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTTCCKBR
SCHEMBL8093420 0.65 CCKBR (0.45) CCKBR
SCHEMBL8089873 0.65 CCKAR (0.55) ALDH1A1CCKBR
SCHEMBL8089854 0.59 CASR (0.44) ALDH1A1MEN1LMNAKMT2A
SCHEMBL8089856 0.59 CASR (0.44) ALDH1A1MEN1LMNAKMT2A
SCHEMBL6904260 0.58 ACE (0.39)

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