SCHEMBL8555082

SCHEMBL8555082

CCN(C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(CN2CCOCC2)c2ccccc21)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.44
BRD4 O60885 4/20 0.40
BRD2 P25440 4/20 0.40
BRD3 Q15059 4/20 0.40
CCKBR P32239 8/20 0.39
OXTR P30559 2/20 0.38
BDKRB1 P46663 2/20 0.37
ENPP2 Q13822 1/20 0.37
CCKAR P32238 2/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL1388570 0.86 CCKBR (0.49) CCKBRBDKRB1
SCHEMBL9007233 0.86 SENP1 (0.49) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8555947 0.83 HRH3 (0.38) OXTR
SCHEMBL8558106 0.82 SENP1 (0.49) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8622534 0.80 SENP1 (0.47) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8555087 0.79 BRD4 (0.41) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL8555248 0.77 OXTR (0.41) CCKBROXTRBDKRB1CCKAR
SCHEMBL8554771 0.76 CCKBR (0.49) CCKBRCCKAR
SCHEMBL8555289 0.75 CCKBR (0.45) CCKBROXTRCCKAR
SCHEMBL8552793 0.74 CCKBR (0.48) CCKBRBDKRB1CCKAR

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