SCHEMBL3967115

SCHEMBL3967115

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1cc(S(=O)(=O)c2ccccc2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.48
PTGDR Q13258 4/20 0.37
EEF2K O00418 2/20 0.35
GPR27 Q9NS67 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL3962099 0.91 PTGDR2 (0.40) PTGDR2GPR27HTR6
SCHEMBL3967113 0.85 PTGDR2 (0.45) PTGDR2PTGDR
SCHEMBL3973023 0.85 PTGDR2 (0.66) PTGDR2
SCHEMBL3968057 0.84 PTGDR2 (0.59) PTGDR2
SCHEMBL3967747 0.83 PTGDR2 (0.46) PTGDR2PTGDREEF2K
SCHEMBL3964681 0.83 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3971882 0.80 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3967120 0.80 PTGDR2 (0.52) PTGDR2PTGDR
SCHEMBL3968079 0.80 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL3967596 0.77 PTGDR2 (0.50) PTGDR2PTGDREEF2K

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
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed