SCHEMBL8461998

SCHEMBL8461998

O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2CC[C@H]1Cc1cccnc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.72
ALOX5AP P20292 2/20 0.48
PDE10A Q9Y233 1/20 0.47
CYSLTR1 Q9Y271 4/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL8465625 1.00 LTB4R (0.72) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8462004 1.00 LTB4R (0.72) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8465622 1.00 LTB4R (0.72) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8466275 0.91 LTB4R (0.58) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8462851 0.91 LTB4R (0.58) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8465772 0.90 LTB4R (0.57) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL8465778 0.90 LTB4R (0.57) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8890412 0.86 LTB4R (0.53) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8466123 0.83 LTB4R (1.00) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2
SCHEMBL8466125 0.83 LTB4R (1.00) LTB4RALOX5APPDE10ACYSLTR1CYSLTR2

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-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed