SCHEMBL8536760

SCHEMBL8536760

CCOC(=O)CN1C(=O)[C@@H](N)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.70
CCKAR P32238 4/20 0.70
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRE P78334 1/20 0.57
GABRA6 Q16445 1/20 0.57
GABRG1 Q8N1C3 1/20 0.57
GABRG3 Q99928 1/20 0.57
GABRQ Q9UN88 1/20 0.57
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL9865895 1.00 CCKBR (0.70) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8536757 1.00 CCKBR (0.70) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9865451 0.89 CCKBR (0.63) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7318234 0.89 GABRP (0.59) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9866063 0.88 CCKBR (0.62) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9866069 0.88 CCKBR (0.62) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8534795 0.87 CCKBR (0.66) CCKBRCCKAR
SCHEMBL8534798 0.87 CCKBR (0.66) CCKBRCCKAR
SCHEMBL9867205 0.87 CCKBR (0.66) CCKBRCCKAR
SCHEMBL9865396 0.85 GABRP (0.62) CCKBRCCKARGABRPGABRDGABRA1

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
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