SCHEMBL7511215

SCHEMBL7511215

O=C(O)CCCOc1cc(-c2ccccc2Cc2ccc(OCCN3CCCC3=O)cc2)ccc1OCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.43
FFAR4 Q5NUL3 3/20 0.43
POLB P06746 1/20 0.42
HRH1 P35367 4/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
PDK2 Q15119 2/20 0.42
DRD2 P14416 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BACE1 P56817 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7510883 0.91 HRH3 (0.44) LTA4HPOLBHRH1DRD1DRD4
SCHEMBL6967273 0.87 PDK2 (0.45) LTA4HPOLBHRH1DRD1DRD4
SCHEMBL7517414 0.86 PDK2 (0.41) LTA4HPOLBHRH1DRD1DRD4
Lithium Ion SCHEMBL6611336 0.86 LTA4H (0.39) LTA4HPOLBPDK2HRH3HTT
SCHEMBL6965066 0.85 LTA4H (0.54) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL6611328 0.83 F2 (0.49)
Lithium SCHEMBL6611346 0.83 F2 (0.49)
Oxalic Acid SCHEMBL6605436 0.78 F2 (0.48)
SCHEMBL7348194 0.77 FFAR4 (0.45) FFAR4
SCHEMBL6606510 0.77 F2 (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed