SCHEMBL7833746

SCHEMBL7833746

Cc1sccc1C(CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.50
ITGAV P06756 20/20 0.50
ITGB6 P18564 14/20 0.50
ITGB1 P05556 4/20 0.50
ITGA5 P08648 4/20 0.50
ITGB5 P18084 3/20 0.50
ITGB8 P26012 3/20 0.50
ITGA8 P53708 3/20 0.50
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL6779878 0.88 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778768 0.85 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777371 0.84 ITGB3 (0.44) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778442 0.84 ITGB3 (0.71) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835946 0.84 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776952 0.83 ITGB3 (0.49) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782067 0.83 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6773834 0.83 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL242674 0.83 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777666 0.83 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5

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