SCHEMBL6967273

SCHEMBL6967273

O=C1CCCN1CCOc1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)c(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
LTA4H P09960 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH1 P35367 3/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
POLB P06746 1/20 0.42
BACE1 P56817 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL6965066 0.89 LTA4H (0.54) PDK2LTA4HMEN1KMT2AHRH1
SCHEMBL7510883 0.89 HRH3 (0.44) PDK2LTA4HMEN1KMT2AHRH1
SCHEMBL7511215 0.87 LTA4H (0.43) PDK2LTA4HHRH1DRD1DRD4
SCHEMBL7517414 0.84 PDK2 (0.41) PDK2LTA4HMEN1KMT2AHRH1
Oxalic Acid SCHEMBL7418562 0.79 F2 (0.52) ESR1ESR2
SCHEMBL7419916 0.78 ESR1 (0.67) MEN1KMT2ADRD1DRD3DRD2
SCHEMBL7348199 0.77 ESR1 (0.65) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7442242 0.77 LTA4H (0.69) LTA4HHRH1DRD1DRD4DRD5
Oxalic Acid SCHEMBL7410824 0.76 ESR1 (0.65) MEN1KMT2ADRD1DRD3DRD2
SCHEMBL7457235 0.75 MEN1 (0.46) MEN1KMT2APOLBESR1ESR2

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