SCHEMBL8640984

SCHEMBL8640984

c1ccc(Cc2ccc(OCCCCN3CCCC3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.89
LTA4H P09960 7/20 0.83
PSMB1 P20618 1/20 0.69
PSMB5 P28074 1/20 0.69
PSMB2 P49721 1/20 0.69
KCNH2 Q12809 1/20 0.69
HRH4 Q9H3N8 1/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
NPC1 O15118 1/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
NPY1R P25929 1/20 0.67

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
SCHEMBL7398931 0.97 HRH3 (0.89) HRH3LTA4HPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL7397621 0.96 HRH3 (0.86) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7142387 0.95 HRH3 (0.97) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL8637452 0.94 HRH3 (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL11258501 0.91 LTA4H (0.83) HRH3LTA4HKCNH2HRH4KDM4E
SCHEMBL7140970 0.91 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7141103 0.89 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7133844 0.89 LTA4H (1.00) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7397639 0.88 LTA4H (0.78) HRH3LTA4HKCNH2HRH4KDM4E
SCHEMBL491672 0.87 HRH3 (0.79) HRH3LTA4HKCNH2HRH4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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