SCHEMBL5879795

SCHEMBL5879795

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCCCCCNc2nc3ccccc3[nH]2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.73
ITGAV P06756 19/20 0.73
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5879517 0.99 ITGB3 (0.72) ITGB3ITGAV
SCHEMBL5879538 0.83 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879901 0.81 ITGB3 (0.73) ITGB3ITGAVALDH1A1
SCHEMBL5879838 0.79 ITGB3 (0.49) ITGB3ITGAVALDH1A1
SCHEMBL5879582 0.78 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879791 0.77 ITGB3 (0.74) ITGB3ITGAV
SCHEMBL5879616 0.76 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5879592 0.74 ITGB3 (0.43) ITGB3ITGAVALDH1A1
SCHEMBL5024060 0.74 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5025667 0.73 ITGB3 (0.72) 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