SCHEMBL27365740

SCHEMBL27365740

COc1cc(CN)cc(OC)c1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(C)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.69
CCKAR P32238 12/20 0.69
ADRB2 P07550 1/20 0.69
TSPO P30536 1/20 0.69
GLP1R P43220 1/20 0.69
FFAR4 Q5NUL3 1/20 0.69
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE5A O76074 2/20 0.48
PDE1A P54750 2/20 0.48
PDE1B Q01064 2/20 0.48
PDE1C Q14123 2/20 0.48
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47

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
SCHEMBL7302916 0.91 CCKBR (0.72) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7310917 0.91 CCKBR (0.72) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL27365742 0.89 CCKBR (0.65) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL7305691 0.87 CCKBR (0.68) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL6255769 0.82 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL29406251 0.82 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL4884074 0.82 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL148766 0.82 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL31616311 0.82 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL8613468 0.82 CCKBR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053438-C Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI SA (FR) 2000-06-14 CN disclosed
CN-1126207-A Polysubstituted 3-acylamino-5-phenyl-1,4-benzodiazepin-2-one derivatives, process for their preparation and the pharmaceutical compositions containing them SANOFI SA (FR) 1996-07-10 CN disclosed