SCHEMBL9719789

SCHEMBL9719789

CCCCNc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.64
GPBAR1 Q8TDU6 5/20 0.64
CYSLTR2 Q9NS75 5/20 0.64
PDE10A Q9Y233 4/20 0.52
ALOX5 P09917 4/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
PTGS1 P23219 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
SCHEMBL9865828 0.96 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL9719800 0.87 CYSLTR1 (0.70) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1
SCHEMBL10544630 0.85 CYSLTR1 (0.84) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL1695058 0.81 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL29587847 0.81 CYSLTR1 (0.68) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL9447067 0.80 AR (0.64) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL2560907 0.80 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
SCHEMBL9719825 0.79 NPC1 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3271578 0.79 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2PDE10AALOX5
Ammonia Solution, Strong SCHEMBL9585183 0.79 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5MAPK1

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