SCHEMBL7349591

SCHEMBL7349591

COc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.70
HRH3 Q9Y5N1 3/20 0.59
PSMB1 P20618 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB2 P49721 1/20 0.58
KCNH2 Q12809 1/20 0.58
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD5 P21918 2/20 0.52
HRH1 P35367 2/20 0.52
DRD3 P35462 2/20 0.52
DRD2 P14416 1/20 0.51

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
SCHEMBL7442242 0.93 LTA4H (0.69) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7416556 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7353997 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7444253 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6964901 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7348199 0.88 ESR1 (0.65) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7820185 0.86 LTA4H (0.58) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7440099 0.86 HRH3 (0.59) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7350306 0.85 LTA4H (0.57) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7446083 0.85 F2 (0.60) LTA4HHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed