SCHEMBL8626294

SCHEMBL8626294

N#Cc1cccc(NC(=O)NC2N=C(CN3CCOCC3)c3ccccc3NC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 9/20 0.49
CCKBR P32239 5/20 0.49
CCR3 P51677 3/20 0.44
AKT1 P31749 1/20 0.43
CASR P41180 1/20 0.42

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
SCHEMBL8646939 0.79 CCKAR (0.55) CCKBR
SCHEMBL8551460 0.78 CCKBR (0.48) CCKBR
SCHEMBL8551465 0.78 CCKBR (0.48) CCKBR
SCHEMBL8554471 0.77 CCKBR (0.49) CCKBR
SCHEMBL8554771 0.77 CCKBR (0.49) CCKBR
SCHEMBL9007294 0.75 CCKBR (0.46) CCKBR
SCHEMBL8553128 0.75 CBLB (0.56) CBLBCCKBR
SCHEMBL7808858 0.72 CCKBR (0.64) CCKBR
SCHEMBL7552157 0.71 CCKBR (0.75) CCKBR
SCHEMBL7552167 0.71 CCKBR (0.75) 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