SCHEMBL28015652

SCHEMBL28015652

[CH2]c1ccc(N2CCC(N(C)C(=O)c3c(OC)cc(OC)cc3OC)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.41
NPY5R Q15761 2/20 0.41
MCHR1 Q99705 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 2/20 0.39
GFER P55789 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIK1 P57059 1/20 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
SCHEMBL5543195 0.81 ALK (0.37) ABCB1NPY5RMAPTKDM4EALDH1A1
SCHEMBL16430537 0.72 L3MBTL1 (0.50) NPY5RMCHR1MAPTALDH1A1HTT
SCHEMBL5542974 0.72 MAPT (0.39) ABCB1NPY5RMCHR1MAPTKDM4E
SCHEMBL8726329 0.69 L3MBTL3 (0.42) NPY5RMCHR1MAPTKDM4EALDH1A1
SCHEMBL21847022 0.68 LGMN (0.42) NPY5RMAPTALDH1A1PLK1
SCHEMBL16432042 0.67 NPY5R (0.43) NPY5RMAPTALDH1A1MEN1LMNA
SCHEMBL517751 0.67 ALDH1A1 (0.62) MAPTKDM4EALDH1A1HTTGFER
SCHEMBL517750 0.67 ALDH1A1 (0.62) MAPTKDM4EALDH1A1HTTGFER
SCHEMBL16430647 0.65 FAAH (0.46) NPY5RMCHR1MAPTALDH1A1GFER
SCHEMBL94337 0.65 MCHR1 (0.50) MCHR1MAPTALDH1A1L3MBTL1LMNA

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed