SCHEMBL28559083

SCHEMBL28559083

Cc1nc(NCC(NC(=O)OCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C)c(N2CCC(c3ccc4c(n3)NCCC4)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.60
ITGB6 P18564 18/20 0.60
ITGB3 P05106 3/20 0.60
ITGB1 P05556 1/20 0.60
ITGA5 P08648 1/20 0.60
ITGB5 P18084 1/20 0.60
ITGB8 P26012 1/20 0.60

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
SCHEMBL21744693 1.00 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713033 0.95 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21713029 0.95 ITGAV (0.65) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328149 0.92 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL21744692 0.92 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328048 0.92 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL277016 0.91 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328080 0.91 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL278708 0.91 ITGAV (0.60) ITGAVITGB6ITGB3ITGB1ITGA5
SCHEMBL328002 0.91 ITGAV (0.59) ITGAVITGB6ITGB3ITGB1ITGA5

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
CN-112805284-A Integrin antagonists 奥克斯润有限责任公司 2021-05-14 CN disclosed