SCHEMBL7834680

SCHEMBL7834680

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66
ITGB6 P18564 12/20 0.66
ITGB1 P05556 6/20 0.56
ITGA2B P08514 6/20 0.56
ITGB5 P18084 6/20 0.56
ITGA5 P08648 1/20 0.50
ITGB8 P26012 1/20 0.50
ITGA8 P53708 1/20 0.50

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 0.92 ITGB3 (0.66) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6782965 0.86 ITGB3 (0.63) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6772515 0.84 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL7837139 0.84 ITGB3 (0.74) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6782048 0.83 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL6782575 0.82 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL7833937 0.82 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL8337502 0.80 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL6775819 0.80 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL13109233 0.79 ITGB3 (0.67) ITGB3ITGAVITGB6ITGB1ITGA2B

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