SCHEMBL8809238

SCHEMBL8809238

COc1ccc(-c2ccc(-c3ccccc3)nc2-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ESR1 P03372 1/20 0.55
PTPN1 P18031 2/20 0.54
HRH3 Q9Y5N1 4/20 0.51
KCNH2 Q12809 2/20 0.51
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
HRH1 P35367 1/20 0.50
MCHR1 Q99705 1/20 0.50
ATP4A P20648 1/20 0.50
ATP4B P51164 1/20 0.50

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
SCHEMBL8807859 0.96 LTA4H (0.56) LTA4HEBPSIGMAR1ESR1HRH3
SCHEMBL8810675 0.92 LTA4H (0.58) LTA4HESR1HRH3KCNH2ADORA2A
SCHEMBL8808018 0.90 ESR1 (0.61) LTA4HESR1HRH3
SCHEMBL8810553 0.90 LTA4H (0.52) LTA4HESR1HRH3KCNH2ADORA2A
SCHEMBL8810978 0.85 ESR1 (0.66) LTA4HESR1HRH3
SCHEMBL8809840 0.84 LTA4H (0.56) LTA4HEBPSIGMAR1ESR1HRH3
SCHEMBL8808818 0.84 LTA4H (0.55) LTA4HESR1HRH3KCNH2MCHR1
SCHEMBL10991494 0.81 KDM4E (0.58) ADORA2AADORA1
SCHEMBL10976797 0.81 KDM4E (0.58) ADORA2AADORA1
SCHEMBL8675943 0.81 PTPN1 (0.56) LTA4HESR1PTPN1MCHR1

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
WO-1997004778-A1 PYRIDINE COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-02-13 WO disclosed