SCHEMBL10364158

SCHEMBL10364158

CCCc1c(COc2ccc(OCc3nnn[nH]3)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 19/20 0.68
CYSLTR1 Q9Y271 19/20 0.68
CTSD P07339 1/20 0.53

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
Ly-163443 SCHEMBL9176125 0.92 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9177875 0.92 CYSLTR2 (0.70) CYSLTR2CYSLTR1
Ly-163443 SCHEMBL9505200 0.91 CYSLTR2 (0.69) CYSLTR2CYSLTR1
Ly-163443 SCHEMBL9505168 0.91 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL9638145 0.90 CYSLTR2 (0.65) CYSLTR2CYSLTR1CTSD
SCHEMBL10362703 0.90 CYSLTR2 (0.71) CYSLTR2CYSLTR1CTSD
SCHEMBL9637138 0.90 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD
SCHEMBL9637247 0.89 CYSLTR2 (0.61) CYSLTR2CYSLTR1CTSD
SCHEMBL9177390 0.88 CYSLTR2 (0.69) CYSLTR2CYSLTR1CTSD
SCHEMBL10362516 0.87 CYSLTR2 (0.73) 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
EP-0132366-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed