SCHEMBL5204428

SCHEMBL5204428

CCCCS(=O)(=O)N[C@@H](Cc1ccc2oc(CCCNc3ccccn3)cc(=O)c2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.47
ITGA5 P08648 6/20 0.47
ITGB3 P05106 14/20 0.46
ITGA2B P08514 10/20 0.46
ITGAV P06756 9/20 0.46
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
ALOX15 P16050 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 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
SCHEMBL5204669 0.90 ITGB1 (0.49) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL6496052 0.90 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL6494288 0.88 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL3039366 0.86 ITGB3 (0.40) ITGB3ITGA2BITGAVALOX15CHRM2
SCHEMBL3041592 0.86 ITGB3 (0.53) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL13170303 0.84 ITGB1 (0.51) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL6495002 0.83 ITGB3 (0.41) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL13170301 0.82 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL3048694 0.80 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGA2BITGAV
SCHEMBL14431255 0.80 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGA2BITGAV

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 6 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
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