SCHEMBL5324433

SCHEMBL5324433

CC(C)C(N)C(=O)Nc1ccc(N2C(=O)N(C3CCCCCCC3)N=C(C3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 11/20 0.74
CCKBR P32239 5/20 0.39
BDKRB1 P46663 4/20 0.39

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
SCHEMBL5321537 0.89 PTH1R (0.73) PTH1R
SCHEMBL5333231 0.86 PTH1R (0.74) PTH1RCCKBR
SCHEMBL5333228 0.86 PTH1R (0.74) PTH1RCCKBR
SCHEMBL5333234 0.86 PTH1R (0.74) PTH1RCCKBR
SCHEMBL14566324 0.85 PTH1R (1.00) PTH1RCCKBR
SCHEMBL5331650 0.85 PTH1R (0.57) PTH1RCCKBRBDKRB1
SCHEMBL14566321 0.85 PTH1R (0.57) PTH1RCCKBRBDKRB1
SCHEMBL14566407 0.85 PTH1R (0.54) PTH1RCCKBR
SCHEMBL5324493 0.84 PTH1R (0.58) PTH1RCCKBR
SCHEMBL5322722 0.84 PTH1R (0.83) 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