SCHEMBL8650316

SCHEMBL8650316

COC(=O)C(N)(c1ccccc1)C1C(=O)N(CCN2CCOCC2)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.47
XIAP P98170 1/20 0.40

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
SCHEMBL8868334 0.87 CCKBR (0.48) CCKBRXIAP
SCHEMBL8564644 0.78 CCKBR (0.49) CCKBR
SCHEMBL7926069 0.75 CCKBR (0.79) CCKBR
SCHEMBL8562940 0.71 KDM4E (0.47) CCKBR
SCHEMBL8557455 0.70 CCKBR (0.47) CCKBR
SCHEMBL8559712 0.69 CCKBR (0.66) CCKBR
SCHEMBL8558176 0.68 MEN1 (0.46) CCKBR
SCHEMBL7738118 0.66 CCKBR (0.56) CCKBR
SCHEMBL8866156 0.65 CCKBR (0.53) CCKBR
SCHEMBL8657907 0.64 CCKBR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed