SCHEMBL8620570

SCHEMBL8620570

NC1C(=O)N(CCCO)c2ccccc2N(c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.48
CCKAR P32238 2/20 0.42
POLB P06746 1/20 0.36
CDC25A P30304 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL8897693 0.86 CCKBR (0.60) CCKBRCCKARCDC25A
SCHEMBL7041976 0.83 CCKBR (0.50) CCKBRCCKARCDC25A
SCHEMBL8638401 0.82 CCKBR (0.59) CCKBRCCKAR
SCHEMBL4424441 0.81 GAA (0.46) POLB
SCHEMBL8547144 0.80 CCKBR (0.60) CCKBR
SCHEMBL8543405 0.80 CCKBR (0.60) CCKBRCCKAR
SCHEMBL5711037 0.79 ALDH1A1 (0.44) CCKBRCCKAR
SCHEMBL8562037 0.78 ALDH1A1 (0.47) CCKBRCCKAR
SCHEMBL8638391 0.78 CCKBR (0.64) CCKBR
SCHEMBL8615099 0.75 CCKBR (0.56) CCKBRCCKAR

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
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed