SCHEMBL9719912

SCHEMBL9719912

CCCN(CCC)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.64
CYSLTR2 Q9NS75 4/20 0.64
GPBAR1 Q8TDU6 5/20 0.61
PDE10A Q9Y233 7/20 0.60
ALOX5 P09917 1/20 0.56
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52

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
SCHEMBL10544630 0.83 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL8001866 0.80 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10547475 0.80 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10547998 0.79 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10AFFAR1
SCHEMBL29587847 0.78 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL6583310 0.78 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL7715797 0.77 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10547699 0.77 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL4159309 0.77 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5
SCHEMBL10690965 0.77 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed