SCHEMBL3928433

SCHEMBL3928433

O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CCR5 P51681 9/20 0.52
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ ADORA1 P30542 1/20 0.48

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
SCHEMBL14367749 0.90 MEN1 (0.53) MEN1KMT2ACCR5ADORA1
SCHEMBL3931440 0.90 MEN1 (0.53) MEN1KMT2ACCR5ADORA1
SCHEMBL3928637 0.88 PTGDR2 (0.59) CCR5PTGDR2
SCHEMBL3927273 0.85 CCR5 (0.57) CCR5PTGDR2
SCHEMBL3928972 0.85 CCR5 (0.69) CCR5
SCHEMBL3934113 0.84 CCR5 (0.66) MEN1KMT2ACCR5
SCHEMBL3933237 0.84 CCR5 (0.56) CCR5PTGDR2
SCHEMBL3936203 0.83 CCR5 (0.57) CCR5PTGDR2
SCHEMBL3927267 0.82 PTGDR2 (0.56) MEN1KMT2ACCR5PTGDR2
SCHEMBL3928880 0.82 PTGDR2 (0.72) MEN1KMT2ACCR5PTGDR2

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
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