SCHEMBL6947614

SCHEMBL6947614

O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)C2CCCCC2)C1=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.69
CCKAR P32238 3/20 0.62
CCKBR P32239 4/20 0.57
BRD4 O60885 3/20 0.55
BRD2 P25440 3/20 0.55
BRD3 Q15059 3/20 0.55
SCN9A Q15858 1/20 0.53

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
SCHEMBL6947608 1.00 SENP1 (0.69) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL6938339 1.00 SENP1 (0.69) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL6938333 1.00 SENP1 (0.69) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL1574029 0.99 SENP1 (0.70) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL1574028 0.99 SENP1 (0.70) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL1574248 0.97 SENP1 (0.70) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL1574250 0.97 SENP1 (0.70) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL6941747 0.92 SENP1 (0.61) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL6941752 0.92 SENP1 (0.61) SENP1CCKARCCKBRBRD4BRD2
SCHEMBL6935109 0.88 SENP1 (0.70) SENP1CCKARCCKBRBRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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