SCHEMBL6316744

SCHEMBL6316744

N#Cc1ccc(OCC2CN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
BACE1 P56817 1/20 0.42
AR P10275 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2966053 0.81 MMP2 (0.47) MAOBHRH3
SCHEMBL2965994 0.81 MMP2 (0.47) MAOBHRH3
SCHEMBL6595343 0.79 PPARG (0.55) HPGDHRH3
SCHEMBL6594361 0.79 PPARG (0.55) HPGDHRH3
SCHEMBL2964269 0.78 GPR119 (0.52) ARHRH3
SCHEMBL92404 0.77 NR4A1 (0.50) KDM4ELMNA
SCHEMBL6597460 0.77 HPGD (0.63) MAOBHPGD
SCHEMBL6596341 0.77 HPGD (0.63) MAOBHPGD
SCHEMBL17788034 0.75 L3MBTL1 (0.45) MAOBL3MBTL1FNTAFNTBPGGT1B
SCHEMBL5965861 0.75 L3MBTL1 (0.48) MAOBL3MBTL1KDM4EFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-6872803-B1 Peptides KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-29 US disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed