SCHEMBL7595601

SCHEMBL7595601

O=C(O)C[C@H](c1cnc2c(c1)OCC2)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 13/20 0.49
ITGB3 P05106 11/20 0.49
ITGB8 P26012 6/20 0.41
ITGB6 P18564 5/20 0.41
ITGA5 P08648 4/20 0.41
ITGB1 P05556 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL7591574 1.00 ITGAV (0.49) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7553084 0.87 ITGAV (0.63) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7592559 0.87 ITGAV (0.63) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7595642 0.87 ITGAV (0.63) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL4050199 0.85 ITGB3 (0.51) ITGAVITGB3
SCHEMBL7592874 0.84 ITGAV (0.42) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7596462 0.84 ITGAV (0.42) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7592541 0.84 ITGAV (0.47) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7561021 0.84 ITGAV (0.47) ITGAVITGB3ITGB8ITGB6ITGA5
SCHEMBL7591361 0.84 ITGAV (0.47) 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