SCHEMBL3801832

SCHEMBL3801832

CC(C)c1noc(N2CCC(CCCOc3ccc(CC(NC(=O)OC(C)(C)C)C(=O)N4CCCC4C(N)=O)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.43
HRH1 P35367 4/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ACE P12821 3/20 0.40
CMA1 P23946 3/20 0.39
ACE2 Q9BYF1 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13026960 1.00 HRH2 (0.43) HRH2HRH1F2PRSS1GPR119
SCHEMBL2891032 0.91 F2 (0.42) HRH2HRH1F2PRSS1ITGB3
SCHEMBL2891030 0.91 F2 (0.42) HRH2HRH1F2PRSS1ITGB3
SCHEMBL8056023 0.91 HRH2 (0.44) HRH2HRH1F2PRSS1GPR119
SCHEMBL2890622 0.91 GPR119 (0.41) HRH2HRH1F2PRSS1GPR119
SCHEMBL2890619 0.91 GPR119 (0.41) HRH2HRH1F2PRSS1GPR119
SCHEMBL13026996 0.90 GPR119 (0.48) F2PRSS1GPR119KCNH2
SCHEMBL13026931 0.90 GPR119 (0.43) HRH2HRH1GPR119CMA1KCNH2
SCHEMBL2897928 0.89 HRH2 (0.44) HRH2HRH1GPR119ITGB3ITGA2B
SCHEMBL2897930 0.89 HRH2 (0.44) HRH2HRH1GPR119ITGB3ITGA2B

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
EP-2200609-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-06-30 EP disclosed
WO-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed