SCHEMBL7776183

SCHEMBL7776183

CC(C)(C)OC(=O)N1CCN(CC(O)CNc2ccc(CC#N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 1/20 0.42
HTR2A P28223 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 2/20 0.38

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
SCHEMBL7776209 0.83 MEN1 (0.57) GPR119ABCB1MAPTL3MBTL1HTR2A
SCHEMBL7769768 0.82 GPR119 (0.47) GPR119ABCB1ALDH1A1MAPTNPC1
SCHEMBL7776181 0.81 GPR119 (0.48) GPR119ABCB1ALDH1A1MAPTNPC1
SCHEMBL7776155 0.80 KMT2A (0.53) ABCB1MAPTL3MBTL1HTR2AMEN1
SCHEMBL7776040 0.79 CETP (0.55) GPR119ALDH1A1MAPTCHRM2CHRM4
SCHEMBL8890641 0.79 ABCB1 (0.50) ABCB1ALDH1A1MAPTNPC1MAPK1
SCHEMBL21686038 0.75 GPR119 (0.59) GPR119ALDH1A1MAPTHTTMEN1
SCHEMBL12408091 0.74 ABCB1 (0.52) ABCB1ALDH1A1MAPTNPC1MAPK1
SCHEMBL1498998 0.72 ABCB1 (0.45) GPR119ABCB1ALDH1A1MAPTCHRM2
SCHEMBL1223408 0.71 ABCB1 (0.51) ABCB1ALDH1A1MAPTNPC1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed