SCHEMBL5232177

SCHEMBL5232177

CNC1(C(C)=O)CN(c2ccc(-c3cc(OC)ccc3OC)cc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
GFER P55789 3/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP2 O95551 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL5233064 0.87 L3MBTL1 (0.48) MAPTALDH1A1GFERHTTNPC1
SCHEMBL5239479 0.82 FGFR1 (0.41) MAPTALDH1A1HSD17B10HPGDGFER
SCHEMBL5234780 0.81 KMT2A (0.46) MAPTALDH1A1GFERNPC1DRD2
SCHEMBL5236995 0.79 KMT2A (0.42) MAPTALDH1A1HSD17B10NPC1ALOX15
SCHEMBL5237657 0.78 KCNA5 (0.39)
SCHEMBL5232202 0.78 RAB9A (0.40) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5235440 0.77 ALDH1A1 (0.40) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5234836 0.77 MEN1 (0.43) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5239166 0.77 ALDH1A1 (0.56) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5232372 0.76 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HSD17B10HPGD

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