SCHEMBL13170293

SCHEMBL13170293

O=C(O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccc(F)cc1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.87
ITGAV P06756 17/20 0.87
ITGB1 P05556 9/20 0.87
ITGB6 P18564 3/20 0.87
ITGB5 P18084 2/20 0.87
ITGA5 P08648 5/20 0.54
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
ITGA2B P08514 2/20 0.51

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
SCHEMBL6176461 0.93 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176963 0.93 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176936 0.93 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7264806 0.90 ITGB3 (0.94) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL7264797 0.90 ITGB3 (0.94) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL13170294 0.83 ITGB3 (0.74) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176984 0.83 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6176988 0.83 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6773175 0.82 ITGB3 (0.80) ITGB3ITGAVITGB1ITGB6ITGB5
SCHEMBL6177908 0.82 ITGB3 (1.00) ITGB3ITGAVITGB1ITGB6ITGB5

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
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