SCHEMBL9637290

SCHEMBL9637290

CCCc1c(COc2ccc(C(=O)CCCCCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 18/20 0.58
CYSLTR1 Q9Y271 18/20 0.58
CTSD P07339 1/20 0.46
GRM2 Q14416 1/20 0.46

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
SCHEMBL9637117 1.00 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9637390 0.99 CYSLTR2 (0.59) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9637247 0.97 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9637138 0.93 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD
SCHEMBL9638145 0.89 CYSLTR2 (0.65) CYSLTR2CYSLTR1CTSD
SCHEMBL9637210 0.88 CYSLTR2 (0.57) CYSLTR2CYSLTR1CTSD
SCHEMBL9638096 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1CTSD
SCHEMBL10362703 0.87 CYSLTR2 (0.71) CYSLTR2CYSLTR1CTSD
SCHEMBL10364158 0.86 CYSLTR2 (0.68) CYSLTR2CYSLTR1CTSD
SCHEMBL9177875 0.85 CYSLTR2 (0.70) 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-0288190-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-07-08 EP disclosed
US-4874777-A ANTIASTHMATICS ELI LILLY AND COMPANY (US) 1989-10-17 US disclosed
EP-0288190-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP disclosed