SCHEMBL7065799

SCHEMBL7065799

O=C(/C=C/c1cc[c]c(C(F)(F)F)c1C(F)(F)F)N1CCN(CCOCCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NAMPT P43490 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
ITGB2 P05107 10/20 0.34
ICAM1 P05362 10/20 0.34
ITGAL P20701 10/20 0.34
F2R P25116 1/20 0.34
TEAD3 Q99594 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL7064160 0.90 F2R (0.38) GPR183KMT2AKDM4EITGB2ICAM1
SCHEMBL7065806 0.78 NAMPT (0.36) IRAK4NAMPTKMT2AKDM4EMEN1
SCHEMBL7065998 0.77 ITGB2 (0.51) KDM4EITGB2ICAM1ITGAL
SCHEMBL7063009 0.76 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL7065203 0.73 ITGB2 (0.35) GPR183ITGB2ICAM1ITGAL
SCHEMBL7612088 0.70 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL7612106 0.70 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL6817246 0.69 F2R (0.42) GPR183KMT2AMEN1F2R
SCHEMBL6245941 0.67 HPGD (0.39) KMT2AKDM4EMEN1ITGB2ICAM1
SCHEMBL6813244 0.67 HRH3 (0.38) KMT2AMAPK1ITGB2ICAM1ITGAL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed