SCHEMBL8182867

SCHEMBL8182867

CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cccc(OC)c3n2)c1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 20/20 0.80
▸ CYSLTR1 Q9Y271 20/20 0.80

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
SCHEMBL8172024 0.90 CYSLTR2 (0.82) CYSLTR2CYSLTR1
SCHEMBL8178593 0.89 CYSLTR2 (0.80) CYSLTR2CYSLTR1
SCHEMBL8180181 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8180186 0.86 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8187344 0.85 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9015177 0.85 CYSLTR2 (0.88) CYSLTR2CYSLTR1
SCHEMBL9015219 0.83 CYSLTR2 (0.84) CYSLTR2CYSLTR1
SCHEMBL8180915 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8180368 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8179248 0.83 CYSLTR2 (1.00) CYSLTR2CYSLTR1

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
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 — — EP disclosed
US-5508408-A LEUKOTRIENE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-04-16 — — US disclosed
EP-0643045-A1 Quinoline derivatives as leukoriene antagonists CIBA-GEIGY AG (CH) 1995-03-15 — — EP disclosed
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