SCHEMBL8616776

SCHEMBL8616776

O=C(NC1C(=O)N(CC(F)(F)F)c2ccccc2N(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.46
CCKAR P32238 3/20 0.46
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL7044179 0.79 KCNH2 (0.59) CCKBRCCKAR
SCHEMBL7046314 0.79 KCNH2 (0.61) CCKBRCCKAR
SCHEMBL8083328 0.78 ALDH1A1 (0.52) CCKBRUBE2MDCUN1D1
SCHEMBL7212252 0.72 CCKAR (0.64) CCKBRCCKAR
SCHEMBL7504905 0.69 ALDH1A1 (0.61) CCKBR
SCHEMBL8083323 0.69 HPGD (0.45)
SCHEMBL9014031 0.69 CCKBR (0.64) CCKBRCCKAR
SCHEMBL8075815 0.66 KCNH2 (0.59) CCKBR
SCHEMBL8088997 0.66 KCNH2 (0.57) CCKBR
SCHEMBL7046218 0.65 CCKBR (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842156-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 1998-11-11 EP claimed
EP-0842156-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES Merck & Co., Inc. (US) 1998-05-20 EP claimed
WO-1996040654-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO claimed
EP-0842156-A4 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO INC (US) 1998-11-11 EP disclosed
EP-0842156-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES Merck & Co., Inc. (US) 1998-05-20 EP disclosed
US-5700797-A N-(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-3-amides MERCK & CO, INC. (US) 1997-12-23 US disclosed
WO-1996040654-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed