SCHEMBL8627846

SCHEMBL8627846

COc1cc(C)cc(OC)c1C1=NC(NC(=O)c2cc3ccccc3n2C(C)C(=O)O)C(=O)N(C)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.58
CCKAR P32238 7/20 0.58
ADRB2 P07550 1/20 0.46
TSPO P30536 1/20 0.46
GLP1R P43220 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL7306632 0.86 CCKBR (0.60) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL8630089 0.83 CCKBR (0.56) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7302916 0.78 CCKBR (0.72) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7311045 0.75 CCKBR (0.73) CCKBRCCKAR
SCHEMBL7307910 0.75 CCKBR (0.49) CCKBRCCKAR
SCHEMBL7307913 0.74 CCKBR (0.43) CCKBRCCKAR
SCHEMBL7312521 0.74 CCKBR (0.68) CCKBR
SCHEMBL7312542 0.73 CCKBR (0.74) CCKBR
SCHEMBL7304411 0.73 CCKBR (0.70) CCKBR
SCHEMBL9423149 0.72 CCKBR (0.75) CCKBRCCKARADRB2TSPOGLP1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798353-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI (FR) 1998-08-25 US disclosed