SCHEMBL5735522

SCHEMBL5735522

CCCCCC(C)(C(=O)O)c1ncco1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
CES1 P23141 1/20 0.42
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CCR9 P51686 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL2831374 0.78 GAA (0.37) FAAHGAAHCAR3
SCHEMBL22952384 0.77 FAAH (0.39) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL22023892 0.77 FAAH (0.36) FAAHCES1
SCHEMBL22059374 0.77 FAAH (0.39) FAAHCES1
SCHEMBL19966809 0.77 FAAH (0.39) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL18557093 0.77 FAAH (0.39) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL21720518 0.76 FAAH (0.38) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL21884287 0.73 FAAH (0.35) FAAHCES1
SCHEMBL22660991 0.73 CNR2 (0.34) FAAHCES1CCR9
SCHEMBL22023889 0.73 FAAH (0.35) FAAHCES1

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
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed