SCHEMBL7837139

SCHEMBL7837139

O=C(CNC(=O)c1cccc(NC2=NCCCN2)c1)NC(Cc1cc(Cl)cc(Br)c1O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.74
ITGAV P06756 20/20 0.74
ITGB6 P18564 14/20 0.74
ITGB1 P05556 2/20 0.57
ITGB5 P18084 2/20 0.57
ITGA5 P08648 1/20 0.57
ITGB8 P26012 1/20 0.57
ITGA8 P53708 1/20 0.57
ITGA2B P08514 1/20 0.54

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
SCHEMBL6773624 0.87 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823293 0.86 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6777835 0.85 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6229334 0.85 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7834680 0.84 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL27561816 0.84 ITGB3 (0.75) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6782965 0.82 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823462 0.80 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6810083 0.80 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7823152 0.80 ITGB3 (0.82) ITGB3ITGAVITGB6ITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed