SCHEMBL8555479

SCHEMBL8555479

CN(C(=O)CN1C(=O)C(NC(=O)O)N=C(CBr)c2ccccc21)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.43
OXTR P30559 1/20 0.42
CCKAR P32238 4/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8550878 0.88 CCKBR (0.45) CCKBROXTRCCKARPOLB
SCHEMBL8555248 0.84 OXTR (0.41) CCKBROXTRCCKARPOLB
SCHEMBL8554851 0.82 CCKBR (0.54) CCKBRCCKAR
SCHEMBL8554316 0.75 OXTR (0.41) CCKBROXTRCCKAR
SCHEMBL8552793 0.75 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8552734 0.75 POLB (0.44) CCKBRCCKARLMNATP53POLB
SCHEMBL8622534 0.74 SENP1 (0.47) CCKBROXTR
SCHEMBL8553488 0.73 CCKBR (0.65) CCKBRCCKAR
SCHEMBL8553890 0.72 CCKBR (0.67) CCKBRCCKAR
SCHEMBL8597611 0.72 CCKBR (0.57) 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
EP-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed