SCHEMBL8555255

SCHEMBL8555255

CC(C(N)=O)(c1ccccc1)N1C(=O)C(NC(=O)O)N=C(CN2CCOCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 8/20 0.37
OXTR P30559 1/20 0.37
LMNA P02545 1/20 0.36
CCKBR P32239 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CNR2 P34972 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NOTCH1 P46531 1/20 0.34
NOTCH3 Q9UM47 1/20 0.34
BDKRB1 P46663 2/20 0.33

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
SCHEMBL9007288 0.84 CCKBR (0.45) CCKBR
SCHEMBL8555480 0.84 CCKBR (0.38) CCKBRNOTCH1NOTCH3
SCHEMBL9007263 0.82 SENP1 (0.42) CCKBR
SCHEMBL8555087 0.75 BRD4 (0.41) OXTRCCKBR
SCHEMBL8646939 0.66 CCKAR (0.55) CCKBR
SCHEMBL1388679 0.66 CCKBR (0.53) CCKBR
SCHEMBL8558106 0.66 SENP1 (0.49) OXTRCCKBRBDKRB1
SCHEMBL8552604 0.64 CCKBR (0.48) CCKBR
SCHEMBL8553824 0.64 POLB (0.41) CBLBOXTRLMNA
SCHEMBL8595286 0.64 CCKBR (0.46) LMNACCKBRBDKRB1

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