SCHEMBL7143513

SCHEMBL7143513

CN1C(=O)C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.82
CCKAR P32238 11/20 0.82
ADRB2 P07550 1/20 0.82
TSPO P30536 1/20 0.82
GLP1R P43220 1/20 0.82
FFAR4 Q5NUL3 1/20 0.82
KCNH2 Q12809 1/20 0.61

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
SCHEMBL7143510 1.00 CCKBR (0.82) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9422963 0.90 CCKBR (0.83) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL4884074 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL148766 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL8613468 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL31616311 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL6255769 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
Devazepide SCHEMBL29406251 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9126243 0.88 CCKBR (0.65) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9126247 0.88 CCKBR (0.65) CCKBRCCKARADRB2TSPOGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed