SCHEMBL6216773

SCHEMBL6216773

CC(=O)N1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2-c2ccc3[nH]cc(CN(C)C)c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.58
ITGB2 P05107 8/20 0.58
ICAM1 P05362 8/20 0.58
ENPP2 Q13822 2/20 0.37
GLA P06280 1/20 0.35
HTR1D P28221 3/20 0.33
HTR1B P28222 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
SLC2A1 P11166 1/20 0.32
HTR5A P47898 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 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
SCHEMBL6197971 0.85 ITGAL (0.65) ITGALITGB2ICAM1ENPP2
SCHEMBL6220680 0.79 ITGAL (0.54) ITGALITGB2ICAM1ENPP2
SCHEMBL6219468 0.78 ITGAL (0.52) ITGALITGB2ICAM1ENPP2
SCHEMBL6199888 0.77 ITGAL (0.41) ITGALITGB2ICAM1ENPP2ALDH1A1
SCHEMBL6221367 0.75 ITGB2 (0.52) ITGALITGB2ICAM1KDM4EMEN1
SCHEMBL6248060 0.74 ITGAL (0.58) ITGALITGB2ICAM1ENPP2KMT2A
SCHEMBL6197975 0.73 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL27476332 0.73 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6219298 0.73 ITGAL (0.54) ITGALITGB2ICAM1ENPP2ALDH1A1
SCHEMBL6219596 0.71 ITGAL (0.57) ITGALITGB2ICAM1ENPP2KMT2A

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-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed