SCHEMBL7006493

SCHEMBL7006493

CCC(C(=O)O)[C@H](NC(=O)CC(=O)NCCCc1ccc2c(n1)NCCC2)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB3 P05106 17/20 0.52
ITGB6 P18564 6/20 0.50
ITGB5 P18084 3/20 0.50
ITGB8 P26012 2/20 0.50
ITGA2B P08514 2/20 0.49

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
SCHEMBL7008295 0.85 ITGB3 (0.70) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7008303 0.85 ITGB3 (0.70) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7009188 0.82 ITGB3 (0.57) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7009184 0.82 ITGB3 (0.57) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7448376 0.77 ITGB3 (0.60) ITGAVITGB3ITGB5ITGA2B
SCHEMBL7375986 0.77 ITGB3 (0.60) ITGAVITGB3ITGB5ITGA2B
SCHEMBL7920986 0.77 ITGB3 (0.60) ITGAVITGB3ITGB5ITGA2B
SCHEMBL7375994 0.77 ITGB3 (0.60) ITGAVITGB3ITGB5ITGA2B
SCHEMBL7549076 0.76 ITGB3 (0.74) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL20481251 0.76 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA2B

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-0946165-B1 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-04-09 EP claimed