SCHEMBL9007233

SCHEMBL9007233

CCN(C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(C)c2ccccc21)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.49
BRD4 O60885 5/20 0.46
BRD2 P25440 5/20 0.46
BRD3 Q15059 5/20 0.46
CCKBR P32239 12/20 0.43
CCKAR P32238 4/20 0.42

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
SCHEMBL8555289 0.89 CCKBR (0.45) CCKBRCCKAR
SCHEMBL8555082 0.86 SENP1 (0.44) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8798046 0.82 SENP1 (0.52) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8556281 0.80 SENP1 (0.59) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8553926 0.77 SENP1 (0.54) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL9256442 0.76 SCN9A (0.61) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL9256454 0.76 SCN9A (0.61) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL9256449 0.76 SCN9A (0.61) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8939498 0.75 SENP1 (0.73) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL9865538 0.75 SENP1 (0.73) SENP1BRD4BRD2BRD3CCKBR

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-5569654-A ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ GLAXO GROUP LIMITED (GB) 1996-10-29 US disclosed