SCHEMBL1077612

SCHEMBL1077612

CCC1[C@H](O)OC(=O)N1c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
FADS1 O60427 2/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
HSD11B1 P28845 1/20 0.37
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL14769778 0.69 GRM2 (0.73) GRM2FADS1
SCHEMBL8487733 0.66 GRM2 (0.45) GRM2FADS1
SCHEMBL17047646 0.66 FAAH (0.42) FAAHMGLLHSD11B1ALOX5MEN1
SCHEMBL27573667 0.66 GRM2 (0.59) GRM2FADS1
SCHEMBL14573697 0.64 GRM2 (0.82) GRM2FADS1
SCHEMBL14214167 0.64 GRM2 (0.82) GRM2FADS1
SCHEMBL3087781 0.63 MAOA (0.71) GRM2FADS1
SCHEMBL1032517 0.63 MAOA (0.71) GRM2FADS1
SCHEMBL1557298 0.63 MAOA (0.71) GRM2FADS1
SCHEMBL30063909 0.63 MAOA (0.71) GRM2FADS1

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-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed