SCHEMBL8558504

SCHEMBL8558504

NC1C(=O)Nc2ccccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL8866731 0.79 CCKBR (0.51) CCKBREPHX2
SCHEMBL8866156 0.78 CCKBR (0.53) CCKBREPHX2
SCHEMBL8621950 0.77 CCKBR (0.61) CCKBREPHX2
SCHEMBL8561053 0.75 CCKBR (0.79) CCKBR
SCHEMBL8557455 0.75 CCKBR (0.47) CCKBREPHX2
SCHEMBL8866621 0.75 CCKBR (0.64) CCKBREPHX2
SCHEMBL8865990 0.74 CCKBR (0.63) CCKBREPHX2
SCHEMBL8564644 0.73 CCKBR (0.49) CCKBREPHX2
SCHEMBL14072264 0.73 EPHX2 (0.56) CCKBREPHX2
SCHEMBL8557103 0.72 CCKBR (0.44) 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-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed