SCHEMBL6921402

SCHEMBL6921402

CCCNCc1ccc2c(n1)NCCC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 13/20 0.46
ITGB3 P05106 11/20 0.46
CXCR4 P61073 6/20 0.46
CACNA2D1 P54289 1/20 0.44
ITGB6 P18564 4/20 0.42
ITGB5 P18084 2/20 0.39
ITGB8 P26012 1/20 0.39

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
SCHEMBL4718031 0.88 ITGAV (0.51) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL7797597 0.81 ITGAV (0.51) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL12895016 0.81 ITGAV (0.47) ITGAVITGB3CXCR4CACNA2D1ITGB6
SCHEMBL4717885 0.80 CXCR4 (0.48) ITGAVITGB3CXCR4CACNA2D1ITGB6
SCHEMBL13833866 0.78 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL30336058 0.78 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL3138678 0.77 ITGAV (0.54) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL12807006 0.77 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL4389527 0.77 ITGAV (0.46) ITGAVITGB3CXCR4ITGB6ITGB5
SCHEMBL22893606 0.76 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8

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
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed