SCHEMBL27480554

SCHEMBL27480554

CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(CN)c2)N=C(c2cc[nH]n2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.64
CCKAR P32238 2/20 0.64

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
SCHEMBL1387667 0.90 CCKAR (0.77) CCKBRCCKAR
SCHEMBL1387668 0.90 CCKAR (0.77) CCKBRCCKAR
SCHEMBL8548959 0.88 CCKBR (0.64) CCKBRCCKAR
SCHEMBL8548960 0.88 CCKBR (0.64) CCKBRCCKAR
SCHEMBL27539861 0.88 CCKBR (0.65) CCKBRCCKAR
SCHEMBL27428106 0.87 CCKBR (0.64) CCKBRCCKAR
SCHEMBL27457588 0.83 CCKBR (0.63) CCKBRCCKAR
SCHEMBL27453526 0.80 CCKAR (0.55) CCKBRCCKAR
SCHEMBL1574491 0.79 CCKBR (0.80) CCKBRCCKAR
SCHEMBL1574489 0.79 CCKBR (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1129442-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-08-21 CN disclosed