SCHEMBL7135133

SCHEMBL7135133

Cc1ccc(COc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.73
▸ HRH3 Q9Y5N1 6/20 0.71
▸ PSMB1 P20618 1/20 0.65
▸ PSMB5 P28074 1/20 0.65
▸ PSMB2 P49721 1/20 0.65
▸ HTT P42858 1/20 0.64
▸ KCNH2 Q12809 1/20 0.58
▸ MCHR1 Q99705 1/20 0.58

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
SCHEMBL8337754 0.91 HRH3 (0.70) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL12035585 0.89 HRH3 (0.73) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL82435 0.89 HRH3 (0.73) LTA4HHRH3PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL8972891 0.89 HRH3 (0.68) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7135450 0.88 LTA4H (0.81) LTA4HHRH3PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL6473996 0.87 HRH3 (0.71) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL15834053 0.87 HRH3 (0.66) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7447133 0.86 HRH3 (0.73) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7139473 0.85 LTA4H (0.75) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7139221 0.85 LTA4H (0.75) 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 10 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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 — — US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 — — US 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
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