SCHEMBL7446586

SCHEMBL7446586

COc1ccc(Cc2ccc(OCCN3CCCC3)nc2)c(-c2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
F2 P00734 3/20 0.54
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
ESR1 P03372 4/20 0.47
MCHR1 Q99705 1/20 0.47
ESR2 Q92731 1/20 0.47
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL7502080 0.88 F2 (0.66) LTA4HF2ESR1ESR2
SCHEMBL7440123 0.85 LTA4H (0.62) LTA4HF2PSMB1PSMB5PSMB2
SCHEMBL7441003 0.83 LTA4H (0.55) LTA4HF2PSMB1PSMB5PSMB2
SCHEMBL228920 0.82 LTA4H (0.72) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL7452240 0.81 F2 (0.56) LTA4HF2PSMB1PSMB5PSMB2
SCHEMBL227053 0.80 LTA4H (0.60) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL6594039 0.79 F2 (0.81) F2ESR1ESR2
SCHEMBL7442661 0.79 F2 (0.58) LTA4HF2PSMB1PSMB5PSMB2
SCHEMBL7503435 0.78 LTA4H (0.53) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL7349591 0.78 LTA4H (0.70) LTA4HPSMB1PSMB5PSMB2HRH3

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-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP 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