SCHEMBL9866063

SCHEMBL9866063

NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.62
CCKAR P32238 1/20 0.56
SENP1 Q9P0U3 3/20 0.55
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 1/20 0.53
SCN9A Q15858 1/20 0.49

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
SCHEMBL9866069 1.00 CCKBR (0.62) CCKBRCCKARSENP1GABRPGABRD
SCHEMBL9865895 0.88 CCKBR (0.70) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8536757 0.88 CCKBR (0.70) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8536760 0.88 CCKBR (0.70) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7318234 0.86 GABRP (0.59) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9865396 0.84 GABRP (0.62) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL2687533 0.84 GABRP (0.62) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL30320115 0.84 GABRP (0.62) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL4417146 0.81 GABRP (0.58) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9866599 0.81 CCKBR (0.63) CCKBRGABRPGABRDGABRA1GABRB1

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 2 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