SCHEMBL8556701

SCHEMBL8556701

CCN(CC)CCN1C(=O)C(N)C(=O)N(CCC(C)C)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.46
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.39

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 0.83 CCKBR (0.48) CCKBR
SCHEMBL8547144 0.78 CCKBR (0.60) CCKBR
SCHEMBL8620796 0.76 CCKBR (0.61) CCKBR
SCHEMBL8563447 0.75 KDM1A (0.45) CCKBR
SCHEMBL8650565 0.75 CCKBR (0.54) CCKBR
SCHEMBL8083326 0.74 ALDH1A1 (0.50)
SCHEMBL8866621 0.73 CCKBR (0.64) CCKBR
SCHEMBL8560971 0.73 CCKBR (0.50) CCKBR
SCHEMBL8557103 0.73 CCKBR (0.44) CCKBR
SCHEMBL4413460 0.73 ALDH1A1 (0.51) 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