SCHEMBL5879740

SCHEMBL5879740

COC(=O)CCC1c2ccccc2C(=O)N(CC(=O)NCCNc2ccccn2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.67
ITGAV P06756 11/20 0.67
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL5879535 0.91 ITGB3 (0.75) ITGB3ITGAVKDM4E
SCHEMBL5879963 0.85 ITGB3 (0.90) ITGB3ITGAV
SCHEMBL5879524 0.80 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879664 0.75 ITGB3 (0.52) ITGB3ITGAVKDM4ETP53
SCHEMBL5879521 0.75 POLB (0.46) ITGB3ITGAV
SCHEMBL5879531 0.74 ITGB3 (0.75) ITGB3ITGAV
SCHEMBL5879659 0.69 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL6424193 0.69 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL5879595 0.68 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879566 0.68 ITGB3 (0.54) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed