SCHEMBL7140302

SCHEMBL7140302

Fc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.73
PSMB1 P20618 1/20 0.69
PSMB5 P28074 1/20 0.69
PSMB2 P49721 1/20 0.69
HRH3 Q9Y5N1 2/20 0.61
KCNH2 Q12809 1/20 0.61
MCHR1 Q99705 1/20 0.61

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
SCHEMBL7138812 0.88 KCNH2 (0.76) LTA4HHRH3KCNH2MCHR1
SCHEMBL8773752 0.88 SLC6A3 (0.67) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL5174028 0.87 SLC6A3 (0.65) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7135467 0.86 PSMB1 (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7140970 0.84 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7138797 0.84 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7141103 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7133844 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7132044 0.83 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL5864113 0.83 LTA4H (0.73) LTA4HHRH3KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed