SCHEMBL9524671

SCHEMBL9524671

CN1C(=O)C(NC(=O)c2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 1.00
CCKAR P32238 12/20 1.00
GABRP O00591 1/20 0.81
GABRD O14764 1/20 0.81
GABRA1 P14867 1/20 0.81
GABRB1 P18505 1/20 0.81
GABRG2 P18507 1/20 0.81
GABRB3 P28472 1/20 0.81
GABRA5 P31644 1/20 0.81
GABRA3 P34903 1/20 0.81
GABRA2 P47869 1/20 0.81
GABRB2 P47870 1/20 0.81
GABRA4 P48169 1/20 0.81
GABRE P78334 1/20 0.81
GABRA6 Q16445 1/20 0.81
GABRG1 Q8N1C3 1/20 0.81
GABRG3 Q99928 1/20 0.81
GABRQ Q9UN88 1/20 0.81

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
SCHEMBL9524675 1.00 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7213169 0.92 CCKBR (0.85) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977558 0.89 CCKBR (0.81) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977555 0.89 CCKBR (0.81) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977565 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977570 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9526186 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9867693 0.88 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9867550 0.88 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9867540 0.88 CCKBR (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP 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
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed