SCHEMBL8068236

SCHEMBL8068236

C[C@H](CCOc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)N2CCSC2)c(F)c1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
SCN9A Q15858 5/20 0.36
KMT2A Q03164 2/20 0.36
PREP P48147 1/20 0.36
CTSC P53634 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL2891232 0.85 GPR119 (0.46) HRH2HRH1
SCHEMBL2894483 0.85 GPR119 (0.46) HRH2HRH1
SCHEMBL2891228 0.85 GPR119 (0.46) HRH2HRH1
SCHEMBL2894479 0.85 GPR119 (0.46) HRH2HRH1
SCHEMBL8070465 0.84 SCN9A (0.36) HRH2HRH1SCN9ACTSCPTPN1
SCHEMBL8076407 0.77 ITGB3 (0.53) HRH2HRH1
SCHEMBL6161175 0.76 CTSS (0.56) SCN9AKMT2APREPPTPN1
SCHEMBL6160825 0.76 CTSS (0.56) SCN9AKMT2APREPPTPN1
SCHEMBL8066212 0.75 PTPN1 (0.37) HRH2HRH1PTPN1
SCHEMBL8076548 0.75 HRH2 (0.38) HRH2HRH1

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