SCHEMBL7140961

SCHEMBL7140961

Clc1ccccc1COc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.73
LTA4H P09960 11/20 0.65
HRH3 Q9Y5N1 2/20 0.58
TSHR P16473 1/20 0.58
PTGS2 P35354 1/20 0.58
HTT P42858 1/20 0.58
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
KCNH2 Q12809 1/20 0.54

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
SCHEMBL2891290 0.85 MCHR1 (1.00) MCHR1HRH3KCNH2
SCHEMBL7133825 0.84 LTA4H (0.62) MCHR1LTA4HHRH3TSHRPTGS2
SCHEMBL7136168 0.83 LTA4H (0.65) MCHR1LTA4HHTTPSMB1PSMB5
SCHEMBL7135488 0.83 MCHR1 (0.73) MCHR1LTA4HHTTPSMB1PSMB5
SCHEMBL7140786 0.81 LTA4H (0.62) LTA4HHTT
SCHEMBL5725907 0.80 PSMB1 (0.61) MCHR1LTA4HHRH3TSHRPSMB1
SCHEMBL7134913 0.80 LTA4H (0.69) MCHR1LTA4HPTGS2HTTKCNH2
SCHEMBL7170719 0.79 NR4A2 (0.71) HTT
SCHEMBL2476820 0.79 LTA4H (1.00) MCHR1LTA4HHRH3HTTKCNH2
SCHEMBL7819691 0.78 LTA4H (0.90) LTA4HHRH3PTGS2PSMB1PSMB5

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