SCHEMBL8563447

SCHEMBL8563447

CC(C)CCN1C(=O)C(N)C(=O)N(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
CCKBR P32239 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8653716 0.80 CCKBR (0.45) CCKBR
SCHEMBL8866387 0.78 CCKBR (0.48) CCKBR
SCHEMBL8562935 0.78 CCKBR (0.79) CCKBR
SCHEMBL8564644 0.77 CCKBR (0.49) KDM1ACCKBRKDM4EMAPT
SCHEMBL8547144 0.76 CCKBR (0.60) CCKBR
SCHEMBL8561454 0.76 CCKBR (0.68) CCKBR
SCHEMBL8556701 0.75 CCKBR (0.46) CCKBR
SCHEMBL8620796 0.74 CCKBR (0.61) CCKBR
SCHEMBL8866621 0.74 CCKBR (0.64) CCKBR
SCHEMBL8563090 0.74 CCKBR (0.65) 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