SCHEMBL8561705

SCHEMBL8561705

CC(C)CCN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)[NH+]([O-])C(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.47

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
SCHEMBL8658512 0.78 CCKBR (0.49) CCKBR
SCHEMBL8664226 0.78 CCKBR (0.57) CCKBR
SCHEMBL8562935 0.76 CCKBR (0.79) CCKBR
SCHEMBL8561454 0.75 CCKBR (0.68) CCKBR
SCHEMBL8561703 0.74 CNR1 (0.42) CCKBR
SCHEMBL8563090 0.73 CCKBR (0.65) CCKBR
SCHEMBL8648241 0.73 CCKBR (0.64) CCKBR
SCHEMBL8559327 0.71 CCKBR (0.59) CCKBR
SCHEMBL8559175 0.68 CCKBR (0.80) CCKBR
SCHEMBL8563447 0.66 KDM1A (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US claimed
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