SCHEMBL10422016

SCHEMBL10422016

c1cc(Cc2ccccc2OCc2nnn[nH]2)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
CYSLTR2 Q9NS75 3/20 0.51

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
SCHEMBL7714723 0.93 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420754 0.92 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421806 0.91 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9830483 0.91 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7008540 0.90 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420744 0.90 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717069 0.90 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421916 0.89 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL9829295 0.88 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL8107945 0.88 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2

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