SCHEMBL9868359

SCHEMBL9868359

CN1CCN(C(=O)CN2C(=O)C(NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.67
CCKBR P32239 11/20 0.67
SCN9A Q15858 1/20 0.56
BRD4 O60885 4/20 0.56
BRD2 P25440 4/20 0.56
BRD3 Q15059 4/20 0.56
CCKAR P32238 1/20 0.50

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
SCHEMBL8939417 0.86 SENP1 (0.79) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL8711263 0.86 SENP1 (0.79) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL8711261 0.86 SENP1 (0.79) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL9865718 0.84 SENP1 (0.76) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1574250 0.84 SENP1 (0.70) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1574248 0.84 SENP1 (0.70) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1574028 0.84 SENP1 (0.70) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1574029 0.84 SENP1 (0.70) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL6940307 0.84 SENP1 (0.73) SENP1CCKBRSCN9ABRD4BRD2
SCHEMBL1574343 0.84 SENP1 (0.75) SENP1CCKBRSCN9ABRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed