SCHEMBL5775045

SCHEMBL5775045

COc1cccc2c([C@@H](O)CN3CCC(NCc4ccc5scnc5c4)CC3)ccnc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
SLC2A1 P11166 11/20 0.46
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL4274200 0.85 KCNH2 (0.72) KCNH2SLC2A1HRH1CCR3
SCHEMBL5775396 0.83 KCNH2 (0.49) KCNH2SLC2A1SIGMAR1DRD2DRD3
SCHEMBL5774517 0.82 KCNH2 (0.34) KCNH2SLC2A1PRMT5WDR77DRD2
SCHEMBL5773652 0.80 SLC2A1 (0.47) KCNH2SLC2A1SIGMAR1DRD2DRD3
SCHEMBL5258710 0.79 KCNH2 (0.45) KCNH2SLC2A1PRMT5WDR77SIGMAR1
SCHEMBL5253700 0.79 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL5776996 0.79 SLC2A1 (0.54) KCNH2SLC2A1DRD2DRD3
SCHEMBL5255397 0.79 KCNH2 (0.46) KCNH2SLC2A1PRMT5WDR77
SCHEMBL5773815 0.79 SLC2A1 (0.45) KCNH2SLC2A1SIGMAR1
SCHEMBL5772116 0.78 SLC2A1 (0.48) KCNH2SLC2A1HRH1SIGMAR1DRD2

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