SCHEMBL3928405

SCHEMBL3928405

COC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCC(S(=O)(=O)c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.53
HTR2A P28223 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.45

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
SCHEMBL3932782 0.91 CCR5 (0.56) CCR5HTR2APTGDR2
SCHEMBL3928362 0.86 CCR5 (0.55) CCR5PTGDR2
SCHEMBL3931971 0.85 CCR5 (0.68) CCR5
SCHEMBL3925686 0.82 USP2 (0.51) CCR5PTGDR2
SCHEMBL3931547 0.82 CCR5 (0.62) CCR5
SCHEMBL4014322 0.81 PTGDR2 (0.55) CCR5PTGDR2
SCHEMBL3930143 0.81 PTGDR2 (0.65) CCR5PTGDR2
SCHEMBL3930674 0.80 CCR5 (0.55) CCR5
SCHEMBL3933437 0.80 CCR5 (0.55) CCR5
SCHEMBL3927295 0.80 CCR5 (0.66) CCR5

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
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed