SCHEMBL7595308

SCHEMBL7595308

O=C(O)C[C@@H](c1nc2cnccc2[nH]1)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 10/20 0.46
ITGB3 P05106 8/20 0.46
ITGB6 P18564 5/20 0.41
ITGB8 P26012 5/20 0.41
ITGA5 P08648 3/20 0.41
ITGA2B P08514 2/20 0.41
ITGB1 P05556 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
SCHEMBL7593605 1.00 ITGAV (0.46) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7555650 0.91 ITGB8 (0.44) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7594404 0.91 ITGB8 (0.44) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7596620 0.91 ITGB8 (0.44) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7591261 0.85 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7589125 0.85 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7561021 0.81 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7592541 0.81 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7589610 0.81 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5
SCHEMBL7591361 0.81 ITGAV (0.47) ITGAVITGB3ITGB6ITGB8ITGA5

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 claimed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed