SCHEMBL7134912

SCHEMBL7134912

FC(F)(F)c1cccc(COc2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.72
▸ KCNH2 Q12809 5/20 0.60
▸ MCHR1 Q99705 5/20 0.60
▸ MAOB P27338 4/20 0.60
▸ HTT P42858 2/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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 0.83 KCNH2 (0.76) LTA4HKCNH2MCHR1MAOBHTT
SCHEMBL11244902 0.83 LTA4H (0.81) LTA4HHTTHRH3KDM4EALDH1A1
SCHEMBL14970473 0.83 LTA4H (0.81) LTA4HHTTHRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL14969107 0.82 LTA4H (0.79) LTA4HHTTHRH3KDM4EALDH1A1
SCHEMBL7138782 0.81 LTA4H (0.79) LTA4HKCNH2MCHR1MAOBHTT
SCHEMBL1332739 0.80 KDM4E (0.67) LTA4HKCNH2HTTHRH3KDM4E
SCHEMBL14970712 0.80 LTA4H (0.88) LTA4HKCNH2MCHR1HRH3KDM4E
SCHEMBL2476820 0.80 LTA4H (1.00) LTA4HKCNH2MCHR1HTTHRH3
SCHEMBL2887228 0.79 MCHR1 (0.84) LTA4HKCNH2MCHR1HRH3
Hydrochloric Acid SCHEMBL1333259 0.79 KDM4E (0.65) LTA4HKCNH2HTTHRH3KDM4E

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
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
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-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 — — WO disclosed
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