SCHEMBL6964901

SCHEMBL6964901

Brc1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.61
HRH3 Q9Y5N1 2/20 0.59
PTGS2 P35354 1/20 0.59
PSMB1 P20618 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB2 P49721 1/20 0.58
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH1 P35367 3/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD5 P21918 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
SCHEMBL7348199 0.88 ESR1 (0.65) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7353997 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7444253 0.88 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7416556 0.88 LTA4H (0.61) LTA4HHRH3PTGS2PSMB1PSMB5
SCHEMBL7349591 0.88 LTA4H (0.70) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7820185 0.86 LTA4H (0.58) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7440099 0.86 HRH3 (0.59) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7350306 0.85 LTA4H (0.57) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7820299 0.84 HRH3 (0.57) LTA4HHRH3PSMB1PSMB5PSMB2

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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