SCHEMBL28076708

SCHEMBL28076708

COc1ccc(CC2CCN(CC(O)c3cc(OC)ccc3OC)CC2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR3 P51677 2/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 6/20 0.44
SLC6A4 P31645 6/20 0.44
RYR2 Q92736 1/20 0.43
DRD4 P21917 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL27997754 0.87 CCR3 (0.45) ADRA1AADRA2AMAPTALOX12L3MBTL1
SCHEMBL28076611 0.83 MAPT (0.48) MAPTALOX12L3MBTL1CCR3MEN1
SCHEMBL28076624 0.81 HTR1A (0.52) MAPTALOX12L3MBTL1MEN1POLB
SCHEMBL28076620 0.81 HTR1A (0.46) ADRA1AMAPTALOX12L3MBTL1CCR3
SCHEMBL28076582 0.80 CYP2D6 (0.55) ADRA1AMAPTALOX12L3MBTL1HTR1A
SCHEMBL28076704 0.78 GAA (0.56) ADRA1AMAPTALOX12L3MBTL1CCR3
SCHEMBL28076801 0.77 HTR1A (0.52) MAPTALOX12L3MBTL1CCR3HTR1A
SCHEMBL28076769 0.77 HTR1A (0.52) MAPTALOX12L3MBTL1HTR1ASLC6A4
SCHEMBL28830809 0.77 DRD4 (0.62) MAPTMEN1POLBKMT2ADRD4
SCHEMBL28830757 0.77 TSHR (0.60) MEN1POLBKMT2ADRD4GAA

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-103980184-B Piperidine compounds, medical composition and its use containing this compound 爱思开生物制药株式会社 2016-08-24 CN claimed