SCHEMBL14774591

SCHEMBL14774591

Fc1ccc(COc2ccc(Br)cc2CBr)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.55
PTGER1 P34995 12/20 0.54
USP28 Q96RU2 1/20 0.48
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAPK14 Q16539 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14774781 0.94 CCR5 (0.52) CCR5PTGER1USP28IDO1AGXT
SCHEMBL14774729 0.92 USP28 (0.51) CCR5PTGER1USP28MEN1KMT2A
SCHEMBL14774757 0.91 IDO1 (0.51) CCR5PTGER1IDO1AGXTMAPK14
SCHEMBL14774706 0.86 SMN1; SMN2 (0.49) CCR5PTGER1USP28MEN1KMT2A
SCHEMBL14774834 0.86 CCR5 (0.50) CCR5PTGER1USP28MAPK14MEN1
SCHEMBL14774660 0.84 PTGER1 (0.57) PTGER1IDO1AGXTMEN1KMT2A
SCHEMBL14774689 0.83 IDO1 (0.51) CCR5PTGER1USP28IDO1MEN1
SCHEMBL3457588 0.83 IDO1 (0.50) PTGER1IDO1AGXTMAPK14MEN1
SCHEMBL14774715 0.83 PTGER1 (0.48) CCR5PTGER1USP28MEN1KMT2A
SCHEMBL5096177 0.82 CCR5 (0.55) CCR5PTGER1IDO1AGXTMAPK14

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-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
EP-2570125-A1 Ep1 receptor ligands Almirall, S.A. (ES) 2013-03-20 EP disclosed