SCHEMBL8066147

SCHEMBL8066147

Cc1cc(OCC[C@@H](C)C2CCNCC2)ccc1C(NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
CMA1 P23946 9/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ACE P12821 1/20 0.34
CTRC Q99895 1/20 0.33
KLK5 Q9Y337 1/20 0.33

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
SCHEMBL8058055 0.92 ELANE (0.36) ELANEHRH2HRH1CMA1F2
SCHEMBL8073645 0.91 HRH2 (0.36) ELANEHRH2HRH1NPSR1ACE
SCHEMBL8080722 0.91 HRH2 (0.36) ELANEHRH2HRH1NPSR1ACE
SCHEMBL13027124 0.84 GPR119 (0.37) ELANEHRH2HRH1CMA1F2
SCHEMBL8073649 0.84 ITGB3 (0.37) HRH2HRH1
SCHEMBL8073128 0.84 HRH2 (0.36) HRH2HRH1
SCHEMBL8069233 0.83 HRH2 (0.35) ELANEHRH2HRH1CMA1F2
SCHEMBL8070526 0.77 ITGB3 (0.43) HRH2HRH1F2PRSS1
SCHEMBL2898078 0.77 GPR119 (0.42) ELANEHRH2HRH1
SCHEMBL2898073 0.77 GPR119 (0.42) ELANEHRH2HRH1

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-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed