SCHEMBL3928362

SCHEMBL3928362

COC(=O)Cc1ccc(OCc2ccc(Cl)cc2)c(CN2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.52
PTGER1 P34995 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL3930143 0.93 PTGDR2 (0.65) CCR5KDM4EALDH1A1PTGDR2MEN1
SCHEMBL3925686 0.91 USP2 (0.51) CCR5KDM4EALDH1A1PTGDR2PTGER1
SCHEMBL3931547 0.90 CCR5 (0.62) CCR5PTGER1MEN1KMT2A
SCHEMBL3928637 0.89 PTGDR2 (0.59) CCR5KDM4EALDH1A1PTGDR2PTGER1
SCHEMBL3933437 0.88 CCR5 (0.55) CCR5
SCHEMBL3930674 0.88 CCR5 (0.55) CCR5
SCHEMBL3927295 0.88 CCR5 (0.66) CCR5KDM4EALDH1A1PTGER1RAB9A
SCHEMBL3931440 0.88 MEN1 (0.53) CCR5KDM4EMEN1KMT2AMAPK1
SCHEMBL3931507 0.87 CCR5 (0.54) CCR5
SCHEMBL3931971 0.87 CCR5 (0.68) 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