SCHEMBL9637100

SCHEMBL9637100

CCc1c(COc2ccc(C(=O)CC(C)(C)CC#N)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 16/20 0.52
CYSLTR1 Q9Y271 16/20 0.52
CTSD P07339 2/20 0.46
GRM2 Q14416 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL9638098 0.92 CYSLTR2 (0.54) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9638085 0.87 CYSLTR2 (0.55) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9638335 0.79 CYSLTR2 (0.56) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9637198 0.79 CYSLTR2 (0.56) CYSLTR2CYSLTR1CTSD
SCHEMBL9179089 0.79 CYSLTR2 (0.60) CYSLTR2CYSLTR1CTSD
SCHEMBL9637415 0.78 CYSLTR2 (0.59) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9638430 0.74 CYSLTR2 (0.55) CYSLTR2CYSLTR1CTSDGRM2
SCHEMBL9637200 0.72 CYSLTR2 (0.57) CYSLTR2CYSLTR1CTSD
SCHEMBL9180024 0.71 CYSLTR2 (0.58) CYSLTR2CYSLTR1CTSD
SCHEMBL9175712 0.71 CYSLTR2 (0.64) CYSLTR2CYSLTR1CTSDGRM2

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-0288190-B1 IMPROVEMENTS IN OR RELATING TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-07-08 EP claimed
EP-0288190-A1 Improvements in or relating to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-26 EP claimed