SCHEMBL3930008

SCHEMBL3930008

O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(C(=O)Nc3ccccc3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.64
PTGDR2 Q9Y5Y4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
NLRP3 Q96P20 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL3925573 0.90 FAAH (0.65) FAAHSMN1; SMN2NLRP3KDM4EMAPT
SCHEMBL3928766 0.88 PTGDR2 (0.55) FAAHPTGDR2KDM4E
SCHEMBL3928637 0.87 PTGDR2 (0.59) PTGDR2KDM4E
SCHEMBL3927273 0.86 CCR5 (0.57) PTGDR2
SCHEMBL3928880 0.86 PTGDR2 (0.72) PTGDR2SMN1; SMN2KDM4E
SCHEMBL3927267 0.86 PTGDR2 (0.56) PTGDR2SMN1; SMN2KDM4E
SCHEMBL3933237 0.85 CCR5 (0.56) PTGDR2
SCHEMBL3928937 0.85 PTGDR2 (0.57) PTGDR2
SCHEMBL3938436 0.85 CCR5 (0.54) PTGDR2KDM4E
SCHEMBL3927527 0.84 FAAH (0.55) FAAHKDM4EMAPT

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