SCHEMBL9015210

SCHEMBL9015210

CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(C(C)=O)cc3n2)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 20/20 1.00
CYSLTR1 Q9Y271 20/20 1.00

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
SCHEMBL9015219 0.91 CYSLTR2 (0.84) CYSLTR2CYSLTR1
SCHEMBL8180368 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8179248 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8180186 0.90 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8187344 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8181807 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8187338 0.89 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9015154 0.89 CYSLTR2 (0.86) CYSLTR2CYSLTR1
SCHEMBL8180915 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL8173086 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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