SCHEMBL5772116

SCHEMBL5772116

COc1cccc2c([C@@H](O)CN3CCC(NCc4ccc5ccccc5n4)CC3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.48
KCNH2 Q12809 5/20 0.48
ADORA2A P29274 1/20 0.42
MCHR1 Q99705 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL5774216 0.91 SLC2A1 (0.49) SLC2A1KCNH2SIGMAR1HTR1AADRA1D
SCHEMBL5775396 0.86 KCNH2 (0.49) SLC2A1KCNH2SIGMAR1HTR1ADRD2
SCHEMBL5777366 0.84 LMNA (0.47) SLC2A1KCNH2SIGMAR1LMNAKMT2A
SCHEMBL5772802 0.84 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1MEN1KMT2A
SCHEMBL5773652 0.84 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1MAPTDRD2
SCHEMBL27579662 0.84 KCNH2 (0.65) SLC2A1KCNH2MCHR1
SCHEMBL4272906 0.84 KCNH2 (0.65) SLC2A1KCNH2MCHR1
SCHEMBL5255719 0.83 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5778699 0.83 SLC2A1 (0.58) SLC2A1KCNH2SIGMAR1LMNAMAPT
SCHEMBL5777778 0.83 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1LMNAMAPT

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