SCHEMBL8739433

SCHEMBL8739433

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CNC(=O)[C@H](C(=O)O)N2

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGAV P06756 20/20 0.79
ITGA2B P08514 1/20 0.62

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
SCHEMBL6951971 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7916989 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL15086003 0.85 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL12009706 0.83 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7361487 0.79 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL8739838 0.78 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL336879 0.78 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL245523 0.77 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL31321063 0.77 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946521 0.77 ITGB3 (1.00) 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
EP-1446418-B1 INTEGRIN TARGETING COMPOUNDS SCRIPPS RESEARCH INST (US) 2012-05-23 EP disclosed