SCHEMBL4964873

SCHEMBL4964873

CCCN(C(=O)c1c(OS(C)(=O)=O)c(-c2cccc(F)c2)nc2ccccc12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4962167 0.97 TACR3 (0.53) TACR3
SCHEMBL4961950 0.95 TACR3 (0.54) TACR3
SCHEMBL4963089 0.91 TACR3 (0.50) TACR3
SCHEMBL4963861 0.83 TACR3 (0.47) TACR3
SCHEMBL4962074 0.82 TACR3 (0.48) TACR3
SCHEMBL4961924 0.82 TACR3 (0.46) TACR3
SCHEMBL4963763 0.81 TACR3 (0.45) TACR3
SCHEMBL4961041 0.80 TACR3 (0.44) TACR3
SCHEMBL4967704 0.76 TACR3 (0.74) TACR3
SCHEMBL4966074 0.76 TACR3 (0.74) TACR3

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
EP-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP claimed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO claimed
EP-1896418-A1 QUINOLINE 3 -SULFONATE ESTERS AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137789-A1 Quinoline 3 -sulfonate esters as NK3 receptor modulators ASTRAZENECA AB (SE) 2006-12-28 WO disclosed