SCHEMBL5777778

SCHEMBL5777778

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.47
KCNH2 Q12809 3/20 0.46
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 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
SCHEMBL3690604 0.88 SLC2A1 (0.36) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL4275508 0.84 KCNH2 (0.65) SLC2A1KCNH2
SCHEMBL5778069 0.84 MEN1 (0.38) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL5778699 0.83 SLC2A1 (0.58) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL5775396 0.83 KCNH2 (0.49) SLC2A1KCNH2HTR1ADRD2SIGMAR1
SCHEMBL5772116 0.83 SLC2A1 (0.48) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL5775617 0.81 SLC2A1 (0.44) SLC2A1KCNH2HTR1ASIGMAR1MEN1
SCHEMBL5773156 0.81 SLC2A1 (0.57) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL3781930 0.81 SLC2A1 (0.52) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL3698321 0.80 HCRTR1 (0.35) KCNH2HTR1ADRD2HTR2BLMNA

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