SCHEMBL5356818

SCHEMBL5356818

COc1cc2c(cc1C)N(c1ccc(C=O)cc1)C(=O)N(C)N=C2C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 18/20 0.51
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 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
SCHEMBL5326300 0.88 PTH1R (0.48) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5345828 0.87 PTH1R (0.47) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5360369 0.85 PTH1R (0.49) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5349636 0.82 PTH1R (0.47) PTH1R
SCHEMBL5349639 0.82 PTH1R (0.47) PTH1R
SCHEMBL5352438 0.81 PTH1R (0.53) PTH1R
SCHEMBL5350400 0.79 PTH1R (0.51) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5361888 0.76 PTH1R (0.47) PTH1RPDE4APDE4BPDE4CPDE4D
SCHEMBL5363678 0.76 PTH1R (0.56) PTH1R
SCHEMBL5322907 0.75 PTH1R (0.49) 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