SCHEMBL9007263

SCHEMBL9007263

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.42
SCN9A Q15858 2/20 0.40
BRD4 O60885 7/20 0.39
BRD2 P25440 7/20 0.39
BRD3 Q15059 7/20 0.39
CCKBR P32239 5/20 0.38
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCKAR P32238 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL8555255 0.82 CBLB (0.37) CCKBR
SCHEMBL8555087 0.78 BRD4 (0.41) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL8622534 0.77 SENP1 (0.47) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL7544650 0.77 SCN9A (0.45) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL7544642 0.77 SCN9A (0.45) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL7551316 0.73 BRD4 (0.40) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL7551310 0.73 BRD4 (0.40) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8558106 0.70 SENP1 (0.49) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL6301555 0.70 SCN9A (0.57) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL5800119 0.68 BDKRB1 (0.59) SENP1SCN9ABRD4BRD2BRD3

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