SCHEMBL5325873

SCHEMBL5325873

CCCCCCCCN1N=C(C2CCCCC2)c2ccccc2N(c2ccc(N)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 14/20 0.54
CCKBR P32239 5/20 0.42
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 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
SCHEMBL5323408 0.84 PTH1R (0.57) PTH1RCCKBR
SCHEMBL5328766 0.83 PTH1R (0.77) PTH1RCCKBR
SCHEMBL5280948 0.82 PTH1R (0.76) PTH1RCCKBR
SCHEMBL5319569 0.81 PTH1R (0.61) PTH1RCCKBR
SCHEMBL5326611 0.80 PTH1R (0.58) PTH1RCCKBR
SCHEMBL5278951 0.80 PTH1R (0.62) PTH1RCCKBR
SCHEMBL5400241 0.79 PTH1R (0.56) PTH1RCCKBR
SCHEMBL5400234 0.79 PTH1R (0.56) PTH1RCCKBR
SCHEMBL5325682 0.78 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5320208 0.78 PTH1R (0.52) 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