SCHEMBL7558853

SCHEMBL7558853

Cn1cc(C(CC(=O)O)N2CCN(CCCC3=CC=C4CCCNC4N3)C2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 10/20 0.44
ITGB3 P05106 8/20 0.44
ITGB8 P26012 6/20 0.43
ITGB6 P18564 5/20 0.43
ITGA5 P08648 4/20 0.43
ITGA2B P08514 2/20 0.43
ITGB1 P05556 1/20 0.43

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
SCHEMBL7596311 1.00 ITGAV (0.44) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7591527 1.00 ITGAV (0.44) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7592541 0.86 ITGAV (0.47) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7561021 0.86 ITGAV (0.47) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7589125 0.86 ITGAV (0.61) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7591261 0.86 ITGAV (0.61) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7597763 0.85 ITGAV (0.48) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7596273 0.85 ITGAV (0.48) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7557493 0.85 ITGAV (0.62) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7594213 0.85 ITGAV (0.62) ITGAVITGB3ITGB8ITGB6ITGA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040111-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-10-04 EP disclosed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed