SCHEMBL8664585

SCHEMBL8664585

NC(=O)N(c1ccc(F)cc1)C1C(=O)C(CCN2CCOCC2)c2ccccc2N(CC23CC4CC(CC(C4)C2)C3)[N+]1=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.33
CCKBR P32239 2/20 0.33
CNR2 P34972 2/20 0.32

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
SCHEMBL8658509 0.81 CCKBR (0.42) EPHX2CCKBR
SCHEMBL7738117 0.76 CCKBR (0.47) CCKBR
SCHEMBL8559320 0.68 CCKBR (0.49) CCKBR
SCHEMBL8658512 0.63 CCKBR (0.49) CCKBR
SCHEMBL8564644 0.61 CCKBR (0.49) EPHX2CCKBR
SCHEMBL8562940 0.60 KDM4E (0.47) EPHX2CCKBRCNR2
SCHEMBL8866205 0.60 CCKBR (0.51) CCKBR
SCHEMBL8558176 0.59 MEN1 (0.46) EPHX2CCKBR
SCHEMBL8559712 0.57 CCKBR (0.66) CCKBR
SCHEMBL7926069 0.56 CCKBR (0.79) 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 claimed