SCHEMBL4727562

SCHEMBL4727562

CCn1c2ccccc2c2cc(C(=O)NCCCC(=O)O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.65
RORC P51449 6/20 0.59
CNR2 P34972 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.53
PTGER4 P35408 1/20 0.52
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4728500 0.93 NPY5R (0.67) NPY5RRORCCNR2PTGDR2PTGER4
SCHEMBL4727066 0.87 NPY5R (0.60) NPY5RRORCCNR2PTGER4MAPT
SCHEMBL4726986 0.87 NPY5R (0.71) NPY5RRORCCNR2PTGER4MAPT
SCHEMBL4727519 0.85 NPY5R (0.83) NPY5RRORCCNR2MAPTKDM4E
SCHEMBL4727844 0.83 RORC (0.77) NPY5RRORCMAPT
SCHEMBL4728750 0.82 NPY5R (0.62) NPY5RRORCCNR2PTGER4MAPT
SCHEMBL4727906 0.80 PTGER4 (0.67) NPY5RRORCPTGER4MAPTKDM4E
SCHEMBL30062001 0.80 PTGER4 (0.67) NPY5RRORCPTGER4MAPTKDM4E
SCHEMBL4726955 0.79 PTGDR2 (0.77) NPY5RRORCPTGDR2MAPTKDM4E
SCHEMBL7976855 0.79 NPY5R (1.00) NPY5RRORCCNR2MAPTKDM4E

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed