SCHEMBL6511276

SCHEMBL6511276

Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(N(C)c2ccccn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.66
PTGDR Q13258 5/20 0.66
AVPR1B P47901 1/20 0.49
CCKAR P32238 1/20 0.49

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
SCHEMBL6529278 0.91 PTGDR2 (0.69) PTGDR2PTGDRAVPR1BCCKAR
SCHEMBL6527996 0.90 PTGDR2 (0.62) PTGDR2PTGDRAVPR1BCCKAR
SCHEMBL6531254 0.85 PTGDR2 (0.60) PTGDR2PTGDRAVPR1BCCKAR
SCHEMBL6530647 0.85 PTGDR2 (0.64) PTGDR2PTGDRAVPR1BCCKAR
SCHEMBL6527667 0.85 PTGDR2 (0.62) PTGDR2PTGDRAVPR1BCCKAR
SCHEMBL6528559 0.84 PTGDR2 (0.67) PTGDR2PTGDRCCKAR
SCHEMBL6529040 0.83 PTGDR2 (0.73) PTGDR2PTGDRCCKAR
SCHEMBL6530807 0.81 PTGDR2 (0.66) PTGDR2PTGDRCCKAR
SCHEMBL6529582 0.81 PTGDR2 (0.80) PTGDR2PTGDRCCKAR
SCHEMBL6531329 0.80 PTGDR2 (1.00) PTGDR2PTGDR

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-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO claimed
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO disclosed