SCHEMBL6958467

SCHEMBL6958467

CCN(CC)C(=O)CCCOc1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
LTA4H P09960 8/20 0.49
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
BACE1 P56817 1/20 0.44

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) HRH3LTA4HKCNH2KDM4EPSMB1
SCHEMBL6969234 0.84 LTA4H (0.52) HRH3LTA4HKCNH2KDM4EPSMB1
SCHEMBL6967241 0.83 LTA4H (0.52) HRH3LTA4HKCNH2KDM4EPSMB1
SCHEMBL6961749 0.83 HRH3 (0.53) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL7442242 0.83 LTA4H (0.69) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL7348199 0.81 ESR1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7349591 0.81 LTA4H (0.70) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6968916 0.81 LTA4H (0.53) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6966960 0.80 HRH3 (0.62) HRH3LTA4HKCNH2PSMB1PSMB5
SCHEMBL6968972 0.80 LTA4H (0.49) 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