SCHEMBL10420752

SCHEMBL10420752

c1cc(CCc2nnn[nH]2)cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.60
CYSLTR2 Q9NS75 4/20 0.60
GPBAR1 Q8TDU6 1/20 0.58

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
SCHEMBL10543850 0.98 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421082 0.97 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10422073 0.96 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7010393 0.94 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828151 0.94 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9829438 0.93 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10610841 0.92 CYSLTR1 (0.68) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10547291 0.92 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9818424 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL7004658 0.92 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed