SCHEMBL3723717

SCHEMBL3723717

Cc1c(Cc2c(S(=O)(=O)c3ccccc3)ncn2C)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.72
PTGDR Q13258 2/20 0.55
PTGIR P43119 1/20 0.55

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
SCHEMBL3718033 0.91 PTGDR2 (0.61) PTGDR2PTGDRPTGIR
SCHEMBL3715473 0.90 PTGDR2 (0.63) PTGDR2PTGDRPTGIR
SCHEMBL1466161 0.86 PTGDR2 (0.71) PTGDR2PTGDRPTGIR
SCHEMBL1467686 0.84 PTGDR2 (0.73) PTGDR2PTGDRPTGIR
SCHEMBL1466910 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL13049292 0.83 PTGDR2 (0.51) PTGDR2PTGDRPTGIR
SCHEMBL3716589 0.83 PTGDR2 (0.71) PTGDR2PTGDRPTGIR
SCHEMBL2269382 0.82 PTGDR2 (0.81) PTGDR2PTGDRPTGIR
SCHEMBL3714818 0.81 PTGDR2 (0.68) PTGDR2PTGDRPTGIR
SCHEMBL3714601 0.81 PTGDR2 (0.52) PTGDR2PTGDRPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO claimed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed