SCHEMBL7835935

SCHEMBL7835935

O=C(O)CC(NC(=O)CNC(=O)c1ccc(Cl)cc1NC1=NCCCCC1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.45
ITGB3 P05106 17/20 0.41
ITGAV P06756 16/20 0.41
ITGB6 P18564 9/20 0.41
ITGB1 P05556 3/20 0.40
ITGA5 P08648 3/20 0.40
ITGB5 P18084 3/20 0.40
ITGB8 P26012 3/20 0.40
ITGA8 P53708 3/20 0.40
ITGA2B P08514 1/20 0.39
GPR139 Q6DWJ6 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
SCHEMBL6777425 0.86 SUCNR1 (0.45) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL7835941 0.84 GPR132 (0.43)
SCHEMBL6776137 0.83 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778166 0.82 ITGB3 (0.51) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL30625724 0.82 ITGB3 (0.51) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL6774888 0.79 ITGB3 (0.52) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL7838871 0.77 ALDH1A1 (0.40) SUCNR1ITGB3ITGAVITGB6ITGB1
SCHEMBL6782859 0.74 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776905 0.73 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777241 0.73 ITGB3 (0.58) 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