SCHEMBL5326236

SCHEMBL5326236

Cc1cc2c(cc1CNc1ccccc1)C(C1CCCCC1)=NN(C(C)C)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 13/20 0.41
CCKBR P32239 7/20 0.36
CCKAR P32238 2/20 0.33

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
SCHEMBL5352183 0.77 PTH1R (0.36) PTH1R
SCHEMBL5354276 0.77 PTH1R (0.34) PTH1RCCKBRCCKAR
SCHEMBL5320870 0.76 PDE4B (0.42) PTH1R
SCHEMBL5351487 0.76 PTH1R (0.36) PTH1R
SCHEMBL5325236 0.75 PTH1R (0.46) PTH1R
SCHEMBL5356554 0.74 PTH1R (0.67) PTH1R
SCHEMBL5349032 0.72 PTH1R (0.49) PTH1R
SCHEMBL5355040 0.71 PTH1R (0.39) PTH1RCCKBRCCKAR
SCHEMBL5361939 0.70 PDE4A (0.40) PTH1RCCKBR
SCHEMBL5362739 0.69 PTH1R (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed