SCHEMBL7065203

SCHEMBL7065203

O=C(/C=C/c1cc[c]c(C(F)(F)F)c1C(F)(F)F)N1CC=CCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.35
ICAM1 P05362 18/20 0.35
ITGAL P20701 18/20 0.35
GPR183 P32249 1/20 0.32

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
SCHEMBL7065998 0.81 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL7063009 0.81 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL7645298 0.78 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6817901 0.78 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL7064160 0.78 F2R (0.38) ITGB2ICAM1ITGALGPR183
SCHEMBL6919430 0.76 RAB9A (0.39) ITGB2ICAM1ITGAL
SCHEMBL7065196 0.74 NPC1 (0.32)
SCHEMBL7065799 0.73 GPR183 (0.36) ITGB2ICAM1ITGALGPR183
SCHEMBL6813244 0.73 HRH3 (0.38) ITGB2ICAM1ITGAL
SCHEMBL6919311 0.67 ITGAL (0.51) ITGB2ICAM1ITGAL

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 3 patents. 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed