SCHEMBL8773764

SCHEMBL8773764

c1ccc(Cc2ccc(OCCC3CNCCN3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.76
HRH3 Q9Y5N1 2/20 0.49
HRH1 P35367 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4842649 0.89 LTA4H (0.57) LTA4HHRH3
SCHEMBL4842637 0.89 LTA4H (0.57) LTA4HHRH3
SCHEMBL4975539 0.89 LTA4H (0.57) LTA4HHRH3
SCHEMBL13809106 0.81 LTA4H (0.76) LTA4H
SCHEMBL7326422 0.81 LTA4H (0.76) LTA4H
Hydrochloric Acid SCHEMBL7323937 0.80 LTA4H (0.74) LTA4H
Hydrochloric Acid SCHEMBL4319150 0.80 LTA4H (0.74) LTA4H
SCHEMBL3495293 0.77 LTA4H (0.51) LTA4HHRH3
SCHEMBL7331063 0.76 HRH1 (0.60) LTA4HHRH1
SCHEMBL8192012 0.76 LTA4H (0.64) LTA4HHRH3

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
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed