SCHEMBL8622534

SCHEMBL8622534

CN1CCN(CC2=NC(NC(=O)OCc3ccccc3)C(=O)N(CC(=O)N(C)c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.47
CCKBR P32239 8/20 0.41
SCN9A Q15858 1/20 0.40
BRD4 O60885 4/20 0.39
BRD2 P25440 4/20 0.39
BRD3 Q15059 4/20 0.39
OXTR P30559 1/20 0.39
DRD4 P21917 1/20 0.39
BDKRB1 P46663 2/20 0.38

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
SCHEMBL8555248 0.82 OXTR (0.41) CCKBROXTRDRD4BDKRB1
SCHEMBL8555082 0.80 SENP1 (0.44) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9007259 0.79 CCKBR (0.52) CCKBR
SCHEMBL8552793 0.79 CCKBR (0.48) CCKBRBDKRB1
SCHEMBL8558106 0.78 SENP1 (0.49) SENP1CCKBRBRD4BRD2BRD3
SCHEMBL9007263 0.77 SENP1 (0.42) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7544642 0.77 SCN9A (0.45) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL7544650 0.77 SCN9A (0.45) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL9868359 0.76 SENP1 (0.67) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1388598 0.74 CCKBR (0.59) CCKBR

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