SCHEMBL8557103

SCHEMBL8557103

CC(C)CCN1C(=O)C(N)C(=O)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.44
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8866387 0.78 CCKBR (0.48) CCKBRALDH1A1
SCHEMBL8559660 0.74 CCKBR (0.77) CCKBR
SCHEMBL8547144 0.74 CCKBR (0.60) CCKBR
SCHEMBL8556701 0.73 CCKBR (0.46) CCKBR
SCHEMBL8563276 0.72 CCKBR (0.50) CCKBR
SCHEMBL8558504 0.72 CCKBR (0.47) CCKBR
SCHEMBL8620796 0.72 CCKBR (0.61) CCKBR
SCHEMBL8866621 0.72 CCKBR (0.64) CCKBR
SCHEMBL8563447 0.71 KDM1A (0.45) CCKBRKDM4EMAPT
SCHEMBL8564471 0.70 CCKBR (0.63) 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 4 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
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed