SCHEMBL5204669

SCHEMBL5204669

O=C(O)[C@H](Cc1ccc2oc(CCCNc3ccccn3)cc(=O)c2c1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.49
ITGA5 P08648 9/20 0.49
ITGB3 P05106 12/20 0.44
ITGAV P06756 10/20 0.44
ITGA2B P08514 6/20 0.44
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38

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
SCHEMBL6494288 0.91 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL5204428 0.90 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6496052 0.90 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL13170303 0.87 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6506524 0.87 ITGB3 (0.40) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL3041592 0.86 ITGB3 (0.53) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL13170301 0.83 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6504314 0.83 ITGB3 (0.44) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL13170302 0.81 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL3048694 0.80 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP claimed
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed
EP-1124824-B1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2007-08-22 EP disclosed
US-6849646-B1 Chromenone and chromanone derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2005-02-01 US disclosed
EP-1124824-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2001-08-22 EP disclosed
WO-2000026212-A1 CHROMENONE AND CHROMANONE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2000-05-11 WO disclosed