SCHEMBL1387971

SCHEMBL1387971

CC(C)CCN1C(=O)C(NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 1.00

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
SCHEMBL8618848 0.88 CCKBR (0.79) CCKBR
SCHEMBL8617223 0.84 CCKBR (0.74) CCKBR
SCHEMBL8619092 0.83 CCKBR (0.70) CCKBR
SCHEMBL8616191 0.82 CCKBR (0.85) CCKBR
SCHEMBL8616783 0.82 CCKBR (0.69) CCKBR
SCHEMBL8622431 0.78 CCKBR (0.77) CCKBR
SCHEMBL8615602 0.78 CCKBR (0.77) CCKBR
SCHEMBL9014086 0.77 CCKBR (0.75) CCKBR
SCHEMBL8615675 0.77 CCKBR (0.74) CCKBR
SCHEMBL8617224 0.77 CCKBR (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08509237-A 1996-10-01 JP claimed
EP-0695297-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-07 EP claimed
WO-1994025445-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.P.A. (IT) 1994-11-10 WO claimed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed
EP-0695297-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.p.A. (IT) 1996-02-07 EP disclosed
WO-1994025445-A1 1,5-BENZODIAZEPINES USEFUL AS GASTRIN OR CCK-ANTAGONISTS GLAXO S.P.A. (IT) 1994-11-10 WO disclosed