SCHEMBL5809683

SCHEMBL5809683

CC(C)(C)OC(=O)N1CCCc2ccc(CCc3cccc4c3ccn4C(CC(=O)O)c3cccnc3)nc21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66
ITGB5 P18084 6/20 0.66
ITGA2B P08514 1/20 0.36

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
SCHEMBL5820830 0.86 ITGB3 (0.54) ITGB3ITGAVITGB5
SCHEMBL3676698 0.80 ITGB3 (1.00) ITGB3ITGAVITGB5ITGA2B
SCHEMBL5810721 0.79 ITGB3 (0.73) ITGB3ITGAVITGB5ITGA2B
SCHEMBL861262 0.77 ITGB3 (0.60) ITGB3ITGAVITGB5
SCHEMBL20153715 0.73 ITGAV (0.39) ITGB3ITGAVITGB5ITGA2B
SCHEMBL5809659 0.73 ITGB3 (1.00) ITGB3ITGAVITGB5
SCHEMBL29390935 0.71 MPO (0.39) ITGB3ITGAV
SCHEMBL3138861 0.71 MPO (0.39) ITGB3ITGAV
SCHEMBL16607425 0.69 ITGAV (0.40) ITGB3ITGAVITGA2B
SCHEMBL29702182 0.69 ITGAV (0.40) ITGB3ITGAVITGA2B

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
WO-2006108040-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-12 WO disclosed