SCHEMBL10420344

SCHEMBL10420344

c1cc(CCCCc2ccc(-c3nnn[nH]3)cc2)cc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.64
CYSLTR2 Q9NS75 8/20 0.64
GPBAR1 Q8TDU6 1/20 0.54

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
SCHEMBL9829185 0.98 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9829921 0.96 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10420450 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9830499 0.91 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL10421089 0.90 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6089355 0.89 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9827514 0.89 CYSLTR1 (0.59) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828218 0.89 CYSLTR1 (0.61) CYSLTR1CYSLTR2
SCHEMBL7005427 0.89 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10420371 0.89 CYSLTR1 (0.56) CYSLTR1CYSLTR2

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