SCHEMBL5879684

SCHEMBL5879684

O=C(O)CC1c2ccccc2C(=O)N(CCCCCNC(=O)NCc2ccccc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.73
ITGAV P06756 14/20 0.73
CDC25A P30304 1/20 0.49
ACHE P22303 4/20 0.49

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
SCHEMBL5879666 0.84 ITGB3 (1.00) ITGB3ITGAVCDC25A
SCHEMBL5879543 0.78 ITGB3 (0.76) ITGB3ITGAV
SCHEMBL5879843 0.77 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879584 0.74 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879746 0.73 ITGB3 (0.65) ITGB3ITGAVCDC25A
SCHEMBL5879581 0.73 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL5879561 0.72 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL5879794 0.71 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL5879544 0.71 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL6436358 0.71 EPHX2 (0.80)

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