Sugi Predict

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SCHEMBL8640910

SCHEMBL8640910

CC(C)(C)CCN1C(=O)C(NC(=O)Nc2cccc(C#N)c2)C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 19/20 1.00
▸ CCKAR P32238 3/20 0.57

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
SCHEMBL8634876 0.88 CCKBR (1.00) CCKBRCCKAR
Dimethylamine SCHEMBL8641696 0.86 CCKBR (0.96) CCKBRCCKAR
SCHEMBL8545928 0.85 CCKBR (0.74) CCKBRCCKAR
SCHEMBL8636794 0.85 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8641692 0.85 CCKBR (1.00) CCKBR
SCHEMBL8639696 0.83 CCKBR (1.00) CCKBRCCKAR
SCHEMBL1387823 0.80 CCKBR (0.70) CCKBRCCKAR
SCHEMBL8637563 0.78 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8636802 0.76 CCKBR (0.73) CCKBRCCKAR
SCHEMBL8636911 0.76 CCKBR (1.00) CCKBRCCKAR

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-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 — — EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 — — US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 — — US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 — — EP disclosed