SCHEMBL5879581

SCHEMBL5879581

CN(C)CCCCNC(=O)CN1C(=O)c2ccccc2C(CC(=O)O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66

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
SCHEMBL5879583 0.93 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879544 0.90 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL5879954 0.88 ITGB3 (0.65) ITGB3ITGAV
SCHEMBL5879578 0.87 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879794 0.82 ITGB3 (0.63) ITGB3ITGAV
SCHEMBL5879524 0.80 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879722 0.79 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879728 0.79 ITGB3 (0.67) ITGB3ITGAV
SCHEMBL5879727 0.79 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL5879515 0.79 ITGB3 (0.61) 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