SCHEMBL8089877

SCHEMBL8089877

CC1c2ccccc2N(C(C(N)=O)(c2ccccc2)C(C)C)C(=O)CN1C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TACR1 P25103 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCKBR P32239 4/20 0.33
NPC1 O15118 3/20 0.33
CCKAR P32238 3/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTT P42858 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL8081891 0.90 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL8089873 0.74 CCKAR (0.55) ALDH1A1CCKBRCCKAR
SCHEMBL8095731 0.72 CCKBR (0.46) ALDH1A1CCKBRCCKAR
SCHEMBL8081919 0.71 NPY1R (0.51) CCKBR
SCHEMBL7597322 0.71 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8089866 0.71 CCKBR (0.41) ALDH1A1MAPK1CCKBRCCKARHTT
SCHEMBL8093420 0.66 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8072755 0.61 FAAH (0.43) ALDH1A1LMNANPC1RAB9ACACNA1G
SCHEMBL8089854 0.60 CASR (0.44) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL8089856 0.60 CASR (0.44) ALDH1A1MEN1KMT2ALMNANPC1

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