SCHEMBL5323741

SCHEMBL5323741

Cc1cc(C)c(CN2N=C(C3CCCCC3)c3ccccc3N(c3ccc(NC(=N)N)cc3)C2=O)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 14/20 0.63
CCKBR P32239 6/20 0.45
CCKAR P32238 1/20 0.41

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
SCHEMBL5320304 0.87 PTH1R (0.81) PTH1RCCKBRCCKAR
SCHEMBL5331872 0.85 PTH1R (0.78) PTH1R
SCHEMBL14566318 0.85 PTH1R (0.69) PTH1RCCKBR
SCHEMBL14566510 0.84 PTH1R (0.70) PTH1RCCKBRCCKAR
SCHEMBL14566392 0.82 PTH1R (0.71) PTH1RCCKBRCCKAR
SCHEMBL5323417 0.82 PTH1R (0.68) PTH1RCCKBRCCKAR
SCHEMBL5496019 0.81 PTH1R (0.72) PTH1RCCKBRCCKAR
SCHEMBL5328892 0.80 PTH1R (0.61) PTH1RCCKBRCCKAR
SCHEMBL5322596 0.80 PTH1R (0.67) PTH1RCCKBRCCKAR
SCHEMBL5331650 0.80 PTH1R (0.57) PTH1RCCKBR

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