SCHEMBL1574036

SCHEMBL1574036

CCC(CC)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.70
SCN9A Q15858 1/20 0.58
CCKBR P32239 5/20 0.58
BRD4 O60885 6/20 0.58
BRD2 P25440 6/20 0.58
BRD3 Q15059 6/20 0.58
CCKAR P32238 2/20 0.54
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1574634 0.91 SENP1 (0.73) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL6940307 0.91 SENP1 (0.73) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL8711261 0.88 SENP1 (0.79) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL8711263 0.88 SENP1 (0.79) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL8939417 0.88 SENP1 (0.79) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL9865538 0.88 SENP1 (0.73) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL8939498 0.88 SENP1 (0.73) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL9868194 0.87 SENP1 (0.71) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL9865718 0.86 SENP1 (0.76) SENP1SCN9ACCKBRBRD4BRD2
SCHEMBL1574343 0.86 SENP1 (0.75) SENP1SCN9ACCKBRBRD4BRD2

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 7 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 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
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed