SCHEMBL5774517

SCHEMBL5774517

COc1cccc2c([C@H](O)CC3CC(NCc4ccc5scnc5c4)CCN3)ccnc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
MCHR1 Q99705 2/20 0.32
HTR1A P08908 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
SLC2A1 P11166 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDE5A O76074 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5774506 0.85 KCNH2 (0.49) KCNH2MCHR1SLC2A1
SCHEMBL5775045 0.82 KCNH2 (0.52) KCNH2SLC2A1PRMT5WDR77DRD2
SCHEMBL4274200 0.67 KCNH2 (0.72) KCNH2SLC2A1
SCHEMBL5775396 0.66 KCNH2 (0.49) KCNH2HTR1ASLC2A1DRD2DRD3
SCHEMBL5258710 0.66 KCNH2 (0.45) KCNH2HTR1ASLC2A1PRMT5WDR77
SCHEMBL5255397 0.65 KCNH2 (0.46) KCNH2SLC2A1PRMT5WDR77
SCHEMBL6987928 0.65 SLC2A1 (0.45) KCNH2SLC2A1
SCHEMBL31041482 0.65 HRH3 (0.45)
SCHEMBL5253700 0.64 KCNH2 (0.49) KCNH2HTR1ASLC2A1
SCHEMBL7502188 0.64 SLC2A1 (0.48) KCNH2HTR1AADRA1DADRA1AADRA1B

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