SCHEMBL6318679

SCHEMBL6318679

C=C(C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccc(Sc2ccccc2OC)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
HTR2B P41595 7/20 0.43
HTR2A P28223 6/20 0.43
ITGB2 P05107 4/20 0.43
ICAM1 P05362 4/20 0.43
ITGAL P20701 4/20 0.43
CRBN Q96SW2 6/20 0.42
DDB1 Q16531 2/20 0.39
PTPN11 Q06124 1/20 0.37

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
SCHEMBL6310624 0.92 ITGB2 (0.42) HTR2CHTR2BHTR2AITGB2ICAM1
SCHEMBL6199467 0.83 ITGAL (0.48) ITGB2ICAM1ITGALPTPN11
SCHEMBL6312229 0.83 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6199827 0.83 ITGAL (0.45) ITGB2ICAM1ITGALPTPN11
SCHEMBL6318688 0.80 ITGAL (0.69) HTR2CHTR2BHTR2AITGB2ICAM1
SCHEMBL6197119 0.80 ITGAL (0.42) ITGB2ICAM1ITGALPTPN11
SCHEMBL6196144 0.80 ITGAL (0.46) ITGB2ICAM1ITGAL
SCHEMBL6199010 0.79 ITGAL (0.64) ITGB2ICAM1ITGAL
SCHEMBL6308779 0.78 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6410178 0.76 MEN1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed