SCHEMBL5771529

SCHEMBL5771529

COc1ccc2nccc([C@@H](O)CN3CCN(CCc4nc5cc(F)ccc5[nH]4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.49
KCNH2 Q12809 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5799819 1.00 SLC2A1 (0.49) SLC2A1KCNH2L3MBTL1HTR1ALMNA
SCHEMBL5774577 0.86 SLC2A1 (0.49) SLC2A1KCNH2L3MBTL1LMNAGAA
SCHEMBL5773715 0.85 SLC2A1 (0.39) SLC2A1KCNH2L3MBTL1HTR1A
SCHEMBL4277393 0.85 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL4423467 0.85 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5754730 0.78 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL4275555 0.77 SLC2A1 (0.67) SLC2A1KCNH2
SCHEMBL6484670 0.76 NCF1 (0.58) SLC2A1KCNH2
SCHEMBL5757621 0.76 NCF1 (0.58) SLC2A1KCNH2
SCHEMBL6484668 0.76 NCF1 (0.58) SLC2A1KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO disclosed