SCHEMBL8070526

SCHEMBL8070526

CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(N)=O)c1ccc(OCCCC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43
ITGAV P06756 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 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
SCHEMBL13026931 0.82 GPR119 (0.43) HRH2HRH1GPR119KCNH2
SCHEMBL8066595 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVGPR119CHRM2
SCHEMBL865123 0.81 KCNH2 (0.47) KCNH2F2PRSS1
SCHEMBL865122 0.81 KCNH2 (0.47) KCNH2F2PRSS1
SCHEMBL864087 0.78 CYP3A4 (0.44) KCNH2
SCHEMBL864086 0.78 CYP3A4 (0.44) KCNH2
SCHEMBL8066147 0.77 ELANE (0.35) HRH2HRH1F2PRSS1
SCHEMBL8058055 0.77 ELANE (0.36) HRH2HRH1GPR119F2PRSS1
SCHEMBL2897630 0.74 HRH2 (0.36) HRH2HRH1GPR119KCNH2
SCHEMBL2897008 0.74 HRH2 (0.36) HRH2HRH1KCNH2F2PRSS1

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