SCHEMBL7142387

SCHEMBL7142387

c1ccc(Cc2ccc(OCCCN3CCCC3)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.97
LTA4H P09960 6/20 0.85
PSMB1 P20618 1/20 0.71
PSMB5 P28074 1/20 0.71
PSMB2 P49721 1/20 0.71
HRH1 P35367 2/20 0.70
KCNH2 Q12809 1/20 0.70
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ACHE P22303 1/20 0.68
RAD52 P43351 1/20 0.68

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
SCHEMBL8637452 0.98 HRH3 (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL8640984 0.95 HRH3 (0.89) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7398931 0.93 HRH3 (0.89) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7140970 0.92 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL7397621 0.91 HRH3 (0.86) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7141103 0.91 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7133844 0.91 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL1387394 0.88 HRH3 (0.80) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL4689454 0.88 KDM4E (0.86) HRH3LTA4HHRH1KCNH2NPC1
SCHEMBL492205 0.87 HRH3 (0.84) HRH3LTA4HHRH1KCNH2SMN1; SMN2

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