SCHEMBL860580

SCHEMBL860580

CC(C)(C)OC(=O)N1CCCc2ccc(CCOc3ccc4c(ccn4C=CC(=O)OCc4ccc(F)cc4)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.40
ITGAV P06756 18/20 0.40
ITGB5 P18084 2/20 0.35
CYP11B2 P19099 1/20 0.33
MPO P05164 1/20 0.33

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
SCHEMBL860959 0.80 ITGB3 (0.40) ITGB3ITGAVITGB5
SCHEMBL860579 0.80 ITGB3 (0.40) ITGB3ITGAVITGB5
SCHEMBL860716 0.80 ITGB3 (0.40) ITGB3ITGAVITGB5
SCHEMBL860786 0.78 ITGB3 (0.38) ITGB3ITGAVITGB5
SCHEMBL860785 0.78 ITGB3 (0.38) ITGB3ITGAVITGB5
SCHEMBL860861 0.77 ITGB3 (0.57) ITGB3ITGAVITGB5
SCHEMBL860761 0.76 ITGB3 (0.52) ITGB3ITGAVITGB5
SCHEMBL20153799 0.76 ITGB3 (0.39) ITGB3ITGAVITGB5
SCHEMBL861087 0.75 ITGB3 (0.51) ITGB3ITGAVITGB5
SCHEMBL860809 0.75 ITGB3 (0.37) ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed