SCHEMBL8070465

SCHEMBL8070465

C[C@H](CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2I)c(F)c1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
CTSC P53634 1/20 0.36
ACE P12821 1/20 0.35
PTPN1 P18031 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
XIAP P98170 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 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
SCHEMBL8068236 0.84 HRH2 (0.39) SCN9AHRH2HRH1CTSCPTPN1
SCHEMBL8069233 0.79 HRH2 (0.35) HRH2HRH1CTSCGPR119F2
SCHEMBL8058055 0.78 ELANE (0.36) HRH2HRH1ACEGPR119F2
SCHEMBL2891309 0.76 GPR119 (0.45) HRH2HRH1GPR119XIAPF2
SCHEMBL2891305 0.76 GPR119 (0.45) HRH2HRH1GPR119XIAPF2
SCHEMBL2900663 0.76 GPR119 (0.45) HRH2HRH1GPR119
SCHEMBL2900659 0.76 GPR119 (0.45) HRH2HRH1GPR119
SCHEMBL8066212 0.75 PTPN1 (0.37) HRH2HRH1PTPN1GPR119
SCHEMBL8057985 0.74 HRH2 (0.35) HRH2HRH1PTPN1GPR119
SCHEMBL8080722 0.73 HRH2 (0.36) HRH2HRH1ACE

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