SCHEMBL7441003

SCHEMBL7441003

COc1ccc(Cc2ccc(OCCN3CCCC3)c(Br)c2)c(-c2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.55
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
F2 P00734 2/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
EBP Q15125 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PTPN1 P18031 2/20 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
SCHEMBL7452240 0.90 F2 (0.56) LTA4HPSMB1PSMB5PSMB2F2
SCHEMBL7443831 0.86 HRH3 (0.54) LTA4HPSMB1PSMB5PSMB2F2
SCHEMBL7440123 0.85 LTA4H (0.62) LTA4HPSMB1PSMB5PSMB2F2
SCHEMBL228920 0.84 LTA4H (0.72) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL7446586 0.83 LTA4H (0.55) LTA4HPSMB1PSMB5PSMB2F2
SCHEMBL7442661 0.80 F2 (0.58) LTA4HPSMB1PSMB5PSMB2F2
SCHEMBL227053 0.79 LTA4H (0.60) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL6594356 0.79 F2 (0.66) F2ESR1ESR2
SCHEMBL7504385 0.79 F2 (0.53) LTA4HF2ESR1ESR2HRH3
SCHEMBL7439644 0.78 F2 (0.60) LTA4HPSMB1PSMB5PSMB2F2

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