SCHEMBL5778069

SCHEMBL5778069

COc1cccc2c([C@@H](O)CN3CCC(CO)(NCc4cc5ccccc5o4)CC3)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 7/20 0.38
HTR2B P41595 6/20 0.38
HTR1A P08908 4/20 0.38
ABCB1 P08183 2/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HIF1A Q16665 2/20 0.36
GMNN O75496 1/20 0.36
PMP22 Q01453 1/20 0.36
HTT P42858 1/20 0.36
SLC2A1 P11166 1/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL4275487 0.85 SLC2A1 (0.48) MEN1KMT2AGAADRD2HTR2B
SCHEMBL5777778 0.84 SLC2A1 (0.47) MEN1KMT2ADRD2HTR2BHTR1A
SCHEMBL3690604 0.77 SLC2A1 (0.36) MEN1KMT2ADRD2HTR2BHTR1A
SCHEMBL7015177 0.73 CCR8 (0.42) MEN1KMT2AGAADRD2HTR2B
SCHEMBL3698321 0.71 HCRTR1 (0.35) MEN1KMT2ADRD2HTR2BHTR1A
SCHEMBL5760601 0.69 RECQL (0.45) MEN1KMT2ADRD2HTR2BHTR1A
SCHEMBL4275508 0.69 KCNH2 (0.65) SLC2A1KCNH2
SCHEMBL5778699 0.69 SLC2A1 (0.58) MEN1KMT2ADRD2HTR2BHTR1A
SCHEMBL5775396 0.69 KCNH2 (0.49) DRD2HTR1ADRD3SLC2A1HTR2A
SCHEMBL5757154 0.68 L3MBTL1 (0.54) MEN1KMT2ADRD2HTR2BHTR1A

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-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed