SCHEMBL5238577

SCHEMBL5238577

O=C(O)N1CCN(c2ccc(-c3ccc(OCc4ccccc4)c(F)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
S1PR5 Q9H228 1/20 0.47
ERN1 O75460 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A7 Q99884 1/20 0.46
GFER P55789 1/20 0.45
ME2 P23368 2/20 0.44
ME1 P48163 2/20 0.44
ME3 Q16798 2/20 0.44
CTSA P10619 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5237607 0.84 KDM4E (0.47) GRM5MAPTKDM4EALDH1A1GAA
SCHEMBL5259717 0.82 MAPT (0.60) GRM5MAPTKDM4EALDH1A1GAA
SCHEMBL5234829 0.81 GRM5 (0.54) GRM5MAPTKDM4EALDH1A1GAA
SCHEMBL5237364 0.81 TP53 (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL23573654 0.79 GRM5 (0.53) GRM5MAPTALDH1A1GAAS1PR5
SCHEMBL5236266 0.78 MAPT (0.41) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL2767656 0.78 KDM4E (0.46) GRM5MAPTKDM4EALDH1A1GAA
SCHEMBL31181068 0.78 TLR9 (0.51) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL5261930 0.78 TLR9 (0.51) MAPTKDM4EALDH1A1GAATDP1
SCHEMBL16874653 0.77 S1PR5 (0.47) MAPTALDH1A1S1PR5ERN1MEN1

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-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed