SCHEMBL8550580

SCHEMBL8550580

CC(C)(C)C(=O)CN1C(=O)C(N)N=C(c2cc[nH]n2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.45
CCKAR P32238 2/20 0.45

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
SCHEMBL8544961 0.84 CCKBR (0.61) CCKBRCCKAR
SCHEMBL4996686 0.84 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8546357 0.84 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9573407 0.83 GABRP (0.59) CCKBRCCKAR
SCHEMBL8606324 0.81 CCKBR (0.50) CCKBRCCKAR
SCHEMBL8544165 0.81 CCKBR (0.50) CCKBRCCKAR
SCHEMBL8546479 0.80 KDM4E (0.46) CCKBR
SCHEMBL8554660 0.80 CCKAR (0.47) CCKBRCCKAR
SCHEMBL8550576 0.78 HDAC3 (0.39) CCKBRCCKAR
SCHEMBL8605659 0.77 CCKBR (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715624-B1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMA CO LTD (JP) 1998-04-08 EP disclosed
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed