SCHEMBL6960875

SCHEMBL6960875

c1ccc(COc2cccc(-c3ccc(OCCN4CCCC4)cc3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.78
BACE1 P56817 1/20 0.76
MCHR1 Q99705 3/20 0.68
HTT P42858 1/20 0.67
HRH3 Q9Y5N1 5/20 0.64
KCNH2 Q12809 3/20 0.64
HRH1 P35367 1/20 0.60
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL2476820 0.87 LTA4H (1.00) LTA4HMCHR1HTTHRH3KCNH2
SCHEMBL7447086 0.86 HRH3 (0.71) LTA4HBACE1MCHR1HRH3KCNH2
SCHEMBL20748052 0.86 LTA4H (0.97) LTA4HMCHR1HTTHRH3KCNH2
SCHEMBL4688871 0.86 LTA4H (0.97) LTA4HMCHR1HTTHRH3KCNH2
SCHEMBL1899201 0.84 LTA4H (1.00) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL14970484 0.83 LTA4H (0.97) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL16346074 0.83 GSTP1 (0.66)
SCHEMBL6955456 0.82 LTA4H (0.72) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL21462645 0.82 HRH3 (0.86) LTA4HBACE1HRH3KCNH2HRH1
SCHEMBL7436764 0.81 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed