SCHEMBL8553926

SCHEMBL8553926

CC1=NC(NC(=O)OCc2ccccc2)C(=O)N(CC(=O)N2CCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.54
CCKBR P32239 10/20 0.51
BRD4 O60885 5/20 0.46
BRD2 P25440 5/20 0.46
BRD3 Q15059 5/20 0.46
ALDH1A1 P00352 1/20 0.45
SCN9A Q15858 1/20 0.43

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
SCHEMBL8554873 0.88 SENP1 (0.53) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL8556281 0.84 SENP1 (0.59) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL8558106 0.84 SENP1 (0.49) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9868359 0.83 SENP1 (0.67) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL7544210 0.81 SENP1 (0.46) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL7549270 0.81 SENP1 (0.46) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL7549273 0.81 SENP1 (0.46) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL7544205 0.81 SENP1 (0.46) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9256442 0.81 SCN9A (0.61) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9256454 0.81 SCN9A (0.61) SENP1CCKBRBRD4BRD2BRD3

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