SCHEMBL6961749

SCHEMBL6961749

COC(=O)CCCCOc1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
LTA4H P09960 8/20 0.51
KCNH2 Q12809 4/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
HRH4 Q9H3N8 2/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL6962893 0.88 LTA4H (0.53) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL7349591 0.85 LTA4H (0.70) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL7442242 0.84 LTA4H (0.69) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6968916 0.84 LTA4H (0.53) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6955605 0.83 LTA4H (0.49) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6958467 0.83 HRH3 (0.51) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6967241 0.83 LTA4H (0.52) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL7348199 0.82 ESR1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6595854 0.82 LTA4H (0.44) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6963820 0.82 LTA4H (0.52) HRH3LTA4HKCNH2PSMB1PSMB5

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 3 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-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed