SCHEMBL1921223

SCHEMBL1921223

CC1CCC(C(C)C)C(c2c(Cc3cccnc3S(=O)(=O)Nc3ccccc3)c3cc(F)ccc3n2CC(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.51
TRPM8 Q7Z2W7 1/20 0.36
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL1921222 0.89 PTGDR2 (0.41) PTGDR2TRPM8
SCHEMBL1466284 0.80 PTGDR2 (0.77) PTGDR2PTGIRPTGDR
SCHEMBL1921221 0.78 PTGDR2 (0.40) PTGDR2
SCHEMBL3722473 0.76 PTGDR2 (0.72) PTGDR2PTGIRPTGDR
SCHEMBL1466741 0.74 PTGDR2 (0.66) PTGDR2PTGIRPTGDR
SCHEMBL1466930 0.72 PTGDR2 (0.73) PTGDR2PTGIRPTGDR
SCHEMBL1921057 0.71 PTGDR2 (0.56) PTGDR2PTGIRPTGDR
SCHEMBL1465961 0.70 PTGDR2 (0.75) PTGDR2PTGIRPTGDR
SCHEMBL3717896 0.69 PTGDR2 (0.60) PTGDR2PTGIRPTGDR
SCHEMBL1466910 0.69 PTGDR2 (1.00) PTGDR2PTGIRPTGDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed