SCHEMBL9866333

SCHEMBL9866333

O=C(NN1C(=O)CN=C(c2ccccc2)c2ccccc21)c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 0.55
CCKAR P32238 10/20 0.55
ADRB2 P07550 1/20 0.55
TSPO P30536 1/20 0.55
GLP1R P43220 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 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
SCHEMBL10684271 0.88 CCKBR (0.58) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL2927705 0.79 GABRA1 (0.60) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL7828642 0.71 HDAC3 (0.51) CCKBRGABRA1GABRG2GABRB3GABRA5
SCHEMBL8708857 0.71 DDB1 (0.53) CCKBRCCKARGABRA1GABRG2GABRB3
Devazepide SCHEMBL4884074 0.71 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL8613468 0.71 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL6255769 0.71 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL148766 0.71 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL31616311 0.71 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL29406251 0.71 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed