SCHEMBL7136168

SCHEMBL7136168

Cc1ccccc1COc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.65
TDP1 Q9NUW8 1/20 0.60
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.55
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
KCNH2 Q12809 1/20 0.54
MCHR1 Q99705 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
SCHEMBL7140961 0.83 MCHR1 (0.73) LTA4HHTTPSMB1PSMB5KCNH2
SCHEMBL7135488 0.83 MCHR1 (0.73) LTA4HHTTPSMB1PSMB5KCNH2
SCHEMBL7140786 0.81 LTA4H (0.62) LTA4HHTT
SCHEMBL7134913 0.80 LTA4H (0.69) LTA4HHTTMEN1KMT2AKCNH2
SCHEMBL2476820 0.79 LTA4H (1.00) LTA4HHTTKDM4EKCNH2MCHR1
SCHEMBL8337754 0.78 HRH3 (0.70) LTA4HKDM4EPSMB1PSMB5
SCHEMBL255201 0.78 LTA4H (0.86) LTA4HMEN1KMT2AKDM4EPSMB1
SCHEMBL20748052 0.78 LTA4H (0.97) LTA4HHTTKDM4EPSMB1PSMB5
SCHEMBL4688871 0.78 LTA4H (0.97) LTA4HHTTKDM4EPSMB1PSMB5
Hydrochloric Acid SCHEMBL8972891 0.77 HRH3 (0.68) LTA4HKDM4EPSMB1PSMB5

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