SCHEMBL8465813

SCHEMBL8465813

O[C@@H]1c2cc(OCc3ccc4ccccc4n3)ccc2OCC[C@@H]1Oc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.67
PDE10A Q9Y233 2/20 0.50
CYSLTR1 Q9Y271 6/20 0.45
CYSLTR2 Q9NS75 3/20 0.45
GPBAR1 Q8TDU6 3/20 0.43
ALOX5AP P20292 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
SCHEMBL9869872 1.00 LTB4R (0.67) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8522471 0.93 LTB4R (0.72) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8465459 0.93 LTB4R (0.72) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8522473 0.93 LTB4R (0.72) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8462779 0.92 LTB4R (0.59) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL8463992 0.92 LTB4R (0.59) LTB4RPDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL10596993 0.85 CYSLTR1 (0.62) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8464044 0.85 CYSLTR1 (0.62) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8465646 0.85 CYSLTR1 (0.62) LTB4RCYSLTR1CYSLTR2GPBAR1
SCHEMBL8348180 0.85 LTB4R (0.47) LTB4R

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