SCHEMBL5367699

SCHEMBL5367699

COc1cc2c(cc1OC)N(c1ccc(CC3=NCCN3)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 16/20 0.76
HTR1B P28222 2/20 0.36
HTR1D P28221 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGIR P43119 1/20 0.35

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
SCHEMBL5343741 0.90 PTH1R (0.80) PTH1RHTR1BHTR1DPTGIR
SCHEMBL5362367 0.87 PTH1R (0.84) PTH1RHTR1BHTR1D
SCHEMBL14386442 0.87 PTH1R (0.83) PTH1RHTR1BHTR1D
SCHEMBL5363635 0.86 PTH1R (0.82) PTH1RHTR1BHTR1D
SCHEMBL5487298 0.86 PTH1R (0.67) PTH1RHTR1BHTR1D
SCHEMBL5355799 0.86 PTH1R (0.98) PTH1RHTR1BHTR1D
SCHEMBL5324368 0.85 PTH1R (0.67) PTH1RHTR1BHTR1D
SCHEMBL5369142 0.85 PTH1R (0.79) PTH1RHTR1BHTR1D
SCHEMBL5376690 0.83 PTH1R (0.74) PTH1R
SCHEMBL5368169 0.82 PTH1R (0.69) 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-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed