SCHEMBL5239166

SCHEMBL5239166

COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)O)CC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.53
GFER P55789 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AKR1C3 P42330 1/20 0.49
TGFBR1 P36897 1/20 0.48
ACVR1 Q04771 1/20 0.48
GAA P10253 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL5240923 0.86 RBP4 (0.56) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL632352 0.82 L3MBTL1 (0.73) ALDH1A1KDM4EMAPTGFERL3MBTL1
SCHEMBL5238406 0.81 L3MBTL1 (0.51) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL5234854 0.80 RAB9A (0.54) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL5237364 0.79 TP53 (0.49) ALDH1A1HPGDMAPTGFERL3MBTL1
SCHEMBL3767712 0.77 HSD17B10 (0.50) ALDH1A1KDM4EHSD17B10MAPTGFER
SCHEMBL5232177 0.77 MAPT (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL5237133 0.77 L3MBTL1 (0.49) ALDH1A1HSD17B10MAPTL3MBTL1MAPK1
SCHEMBL5394353 0.76 L3MBTL1 (0.55) ALDH1A1KDM4EMAPTGFERL3MBTL1
SCHEMBL4319359 0.76 KMT2A (0.63) ALDH1A1MAPTGFERNPC1GAA

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