SCHEMBL5457948

SCHEMBL5457948

Cc1ccc2c(c1)N(c1ccc(CO)cn1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.56
PIK3CA P42336 1/20 0.36
CES2 O00748 1/20 0.35
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL5356088 0.88 PTH1R (0.65) PTH1R
SCHEMBL5347247 0.88 PTH1R (0.57) PTH1RCCKBR
SCHEMBL5351792 0.87 PTH1R (0.56) PTH1RPIK3CA
SCHEMBL5480267 0.87 PTH1R (0.58) PTH1RCCKBR
SCHEMBL5352872 0.87 PTH1R (0.55) PTH1RCCKBR
SCHEMBL5364026 0.86 PTH1R (0.54) PTH1RCES2
SCHEMBL5348222 0.85 PTH1R (0.54) PTH1R
SCHEMBL5366388 0.85 PTH1R (0.54) PTH1R
SCHEMBL5359898 0.83 PTH1R (0.64) PTH1R
SCHEMBL5355230 0.82 PTH1R (0.68) PTH1R

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-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed