SCHEMBL8977558

SCHEMBL8977558

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.81
CCKAR P32238 10/20 0.81
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
SCHEMBL8977555 1.00 CCKBR (0.81) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7213169 0.92 CCKBR (0.85) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977570 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977565 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9524671 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9524675 0.89 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977576 0.89 CCKBR (0.79) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977573 0.89 CCKBR (0.79) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9867540 0.88 CCKBR (1.00) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL8977579 0.88 CCKAR (1.00) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508724-B1 Radiopharmaceutical bacteriostats MERCK FROSST CANADA INC (CA) 1996-08-07 EP claimed
US-5306482-A Benz(alk or eth)orium chloride MERCK FROSST CANADA, INC. (CA) 1994-04-26 US claimed
US-5227152-A Benzalkonium chloride or benzethonium chloride MERCK FROSST CANADA, INC. (CA) 1993-07-13 US claimed
EP-0508724-B1 Radiopharmaceutical bacteriostats MERCK FROSST CANADA INC (CA) 1996-08-07 EP disclosed
EP-0445976-B1 Gamma emitting, CCK-A antagonists for pancreatic imaging MERCK & CO INC (US) 1996-05-01 EP disclosed
US-5306482-A Benz(alk or eth)orium chloride MERCK FROSST CANADA, INC. (CA) 1994-04-26 US disclosed
US-5227152-A Benzalkonium chloride or benzethonium chloride MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
US-5093105-A Tc-based, pertechnetate reducing agent, antioxidant, benzalkonium chloride, benzethonium chloride MERCK FROSST CANADA, INC. (CA) 1992-03-03 US disclosed
EP-0445976-A1 Gamma emitting, CCK-A antagonists for pancreatic imaging MERCK & CO. INC. (US) 1991-09-11 EP disclosed
US-4994258-A Radiolabeled cholecystokinin-A antagonists bind to receptors MERCK & CO., INC. (US) 1991-02-19 US disclosed