SCHEMBL5292533

SCHEMBL5292533

COC(=O)c1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 12/20 0.70
CCKBR P32239 5/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CCKAR P32238 1/20 0.43

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
SCHEMBL5323683 0.90 PTH1R (0.74) PTH1RCCKBRCCKAR
SCHEMBL5328885 0.88 PTH1R (0.77) PTH1RCCKBRCCKAR
SCHEMBL5326270 0.85 PTH1R (0.75) PTH1RCCKBRCCKAR
SCHEMBL5280948 0.84 PTH1R (0.76) PTH1RCCKBRCCKAR
SCHEMBL5329770 0.83 PTH1R (0.85) PTH1RCCKBRCCKAR
SCHEMBL14566539 0.82 PTH1R (1.00) PTH1RCCKBRCCKAR
SCHEMBL5327296 0.82 PTH1R (0.84) PTH1RCCKBRCCKAR
SCHEMBL5327984 0.82 PTH1R (0.80) PTH1RCCKBRCCKAR
SCHEMBL5323064 0.82 PTH1R (0.75) PTH1RCCKBRCCKAR
SCHEMBL5320309 0.81 PTH1R (1.00) 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 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