SCHEMBL5322753

SCHEMBL5322753

CC(=O)Nc1ccc2c(c1)C(C1CCCCC1)=NN(Cc1ccccc1)C(=O)N2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.61
CCKBR P32239 6/20 0.41
CCKAR P32238 1/20 0.40
NPY1R P25929 1/20 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
SCHEMBL5287353 0.93 PTH1R (0.52) PTH1RCCKBRCCKAR
SCHEMBL5325678 0.88 PTH1R (0.57) PTH1R
SCHEMBL5322596 0.88 PTH1R (0.67) PTH1RCCKBRCCKAR
SCHEMBL5325507 0.86 PTH1R (0.74) PTH1RCCKBRCCKAR
SCHEMBL5321708 0.85 PTH1R (0.56) PTH1R
SCHEMBL5324664 0.85 PTH1R (0.58) PTH1RCCKBR
SCHEMBL5320334 0.84 PTH1R (0.69) PTH1RCCKBR
SCHEMBL5322971 0.84 PTH1R (0.54) PTH1RCCKBR
SCHEMBL5287349 0.84 PTH1R (0.44) PTH1RCCKBRNPY1R
SCHEMBL5327910 0.82 PTH1R (0.56) 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