SCHEMBL8264185

SCHEMBL8264185

Cc1cccc(-c2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.69
BACE1 P56817 1/20 0.67
HRH3 Q9Y5N1 13/20 0.65
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KCNH2 Q12809 2/20 0.62
HRH1 P35367 1/20 0.62
HRH4 Q9H3N8 1/20 0.59
ACHE P22303 1/20 0.57

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
SCHEMBL8266135 0.90 BACE1 (0.77) LTA4HBACE1HRH3KDM4EL3MBTL1
SCHEMBL8263650 0.89 RAB9A (0.63) LTA4HBACE1HRH3KDM4EL3MBTL1
SCHEMBL259391 0.84 KDM4E (0.86) LTA4HBACE1HRH3KDM4EL3MBTL1
SCHEMBL7447133 0.84 HRH3 (0.73) LTA4HHRH3KDM4EKCNH2HRH1
SCHEMBL14970484 0.84 LTA4H (0.97) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL14451861 0.84 LTA4H (0.70) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL6955456 0.84 LTA4H (0.72) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL8361480 0.83 KDM4E (0.83) LTA4HBACE1KDM4EL3MBTL1
SCHEMBL1899201 0.82 LTA4H (1.00) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL7436764 0.82 LTA4H (0.71) LTA4HBACE1HRH3KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed