SCHEMBL7439644

SCHEMBL7439644

COc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(Cc2ccc(CN3CCCC3)c(OC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.60
LTA4H P09960 3/20 0.55
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
ESR1 P03372 3/20 0.48
ESR2 Q92731 1/20 0.48
KCNH2 Q12809 1/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL7446083 0.90 F2 (0.60) F2LTA4HHRH3KCNH2
SCHEMBL7446154 0.87 F2 (0.70) F2LTA4HESR1ESR2
SCHEMBL7964914 0.87 F2 (0.58) F2LTA4HHRH3ESR1KCNH2
SCHEMBL9400262 0.84 LTA4H (0.65) LTA4HEBPSIGMAR1HRH3ESR1
SCHEMBL9400242 0.84 LTA4H (0.61) LTA4HEBPSIGMAR1ESR1ESR2
SCHEMBL8932364 0.83 LTA4H (0.63) LTA4HEBPSIGMAR1HRH3ESR1
SCHEMBL7440123 0.83 LTA4H (0.62) F2LTA4HHRH3ESR1PSMB1
SCHEMBL7452240 0.82 F2 (0.56) F2LTA4HEBPSIGMAR1HRH3
SCHEMBL7446550 0.82 F2 (0.64) F2HRH3ESR1ESR2
SCHEMBL227235 0.82 LTA4H (0.61) LTA4HEBPSIGMAR1HRH3ESR1

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