SCHEMBL5324847

SCHEMBL5324847

CC(=O)Nc1ccc2c(c1)C(C1CCCCC1)=NN(Cc1ccccc1)C(=O)N2c1ccc(N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.56
CCKBR P32239 6/20 0.39
CCKAR P32238 4/20 0.39
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38

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
SCHEMBL5324849 0.91 PTH1R (0.55) PTH1RCCKBRCCKAR
SCHEMBL5285926 0.90 PTH1R (0.69) PTH1RCCKBRCCKARNPFFR1NPFFR2
SCHEMBL5325507 0.87 PTH1R (0.74) PTH1RCCKBRCCKAR
SCHEMBL5320256 0.82 PTH1R (0.65) PTH1RCCKBRCCKAR
SCHEMBL5322596 0.82 PTH1R (0.67) PTH1RCCKBRCCKAR
SCHEMBL5320516 0.81 PTH1R (0.55) PTH1RCCKBRCCKAR
SCHEMBL5322753 0.81 PTH1R (0.61) PTH1RCCKBRCCKAR
SCHEMBL5327373 0.78 PTH1R (0.62) PTH1RCCKBRCCKAR
SCHEMBL5324448 0.78 PTH1R (0.73) PTH1RCCKBRCCKAR
SCHEMBL5325693 0.77 PTH1R (0.62) PTH1RCCKBRCCKAR

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
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed