SCHEMBL1574112

SCHEMBL1574112

CCC(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 6/20 0.85
CCKBR P32239 4/20 0.81
CYP3A4 P08684 1/20 0.75
MAPT P10636 1/20 0.75
TSHR P16473 1/20 0.75

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
SCHEMBL1574327 0.92 CCKAR (1.00) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL1574328 0.92 CCKAR (1.00) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL8774012 0.90 CCKBR (1.00) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL8537732 0.90 CCKBR (1.00) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL8773990 0.88 CCKBR (0.82) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL8533593 0.88 CCKBR (0.82) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL9091207 0.87 CCKBR (0.85) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL9842623 0.87 CCKBR (0.86) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL1574047 0.87 CCKAR (1.00) CCKARCCKBRCYP3A4MAPTTSHR
SCHEMBL9091406 0.87 CCKBR (0.84) CCKARCCKBRCYP3A4MAPTTSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP claimed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP claimed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US claimed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO claimed
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP disclosed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP disclosed
EP-0628033-B1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMA CO LTD (JP) 2003-07-23 EP disclosed
US-5962451-A GASTROINTESTINAL DISORDERS; ANTIULCER AGENT; ANTICANCER AGENTS; SIDE-EFFECT REDUCTION FERRING BV (NL) 1999-10-05 US disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed