SCHEMBL6423958

SCHEMBL6423958

O=C(O)C[C@@H](CCCCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.74
ITGB3 P05106 9/20 0.74
ITGB6 P18564 11/20 0.72
ITGB8 P26012 11/20 0.72

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
SCHEMBL6421975 1.00 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421979 1.00 ITGAV (0.74) ITGAVITGB3ITGB6ITGB8
SCHEMBL6420972 0.85 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421638 0.85 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421627 0.85 ITGAV (0.75) ITGAVITGB3ITGB6ITGB8
SCHEMBL6359531 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421564 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421303 0.85 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6106842 0.84 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL7318506 0.84 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8

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-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP claimed