SCHEMBL7135488

SCHEMBL7135488

Fc1ccccc1COc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.73
KCNH2 Q12809 1/20 0.73
LTA4H P09960 12/20 0.65
NPC1 O15118 1/20 0.60
CASP3 P42574 1/20 0.60
RAB9A P51151 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
HTT P42858 1/20 0.58
PSMB1 P20618 2/20 0.55
PSMB5 P28074 2/20 0.55
PSMB2 P49721 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
SCHEMBL5175292 0.89 LTA4H (0.62) MCHR1KCNH2LTA4HPSMB1PSMB5
SCHEMBL7132821 0.86 LTA4H (0.73) MCHR1KCNH2LTA4HPSMB1PSMB5
SCHEMBL2887656 0.85 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL7140961 0.83 MCHR1 (0.73) MCHR1KCNH2LTA4HHTTPSMB1
SCHEMBL7136168 0.83 LTA4H (0.65) MCHR1KCNH2LTA4HHTTPSMB1
SCHEMBL7134913 0.82 LTA4H (0.69) MCHR1KCNH2LTA4HHTT
SCHEMBL7032539 0.81 LTA4H (0.57) MCHR1KCNH2LTA4H
SCHEMBL7140786 0.81 LTA4H (0.62) LTA4HHTT
Hydrochloric Acid SCHEMBL1332047 0.80 KCNH2 (0.57) KCNH2LTA4H
SCHEMBL2476820 0.79 LTA4H (1.00) MCHR1KCNH2LTA4HNPC1RAB9A

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
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
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