SCHEMBL7838359

SCHEMBL7838359

CC(C)(C)OC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.38
ITGB3 P05106 3/20 0.37
ITGB1 P05556 3/20 0.37
ITGAV P06756 3/20 0.37
ITGA5 P08648 3/20 0.37
ITGB5 P18084 3/20 0.37
ITGB6 P18564 3/20 0.37
ITGB8 P26012 3/20 0.37
ITGA8 P53708 3/20 0.37
CASR P41180 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAPT P10636 1/20 0.36
F2 P00734 5/20 0.36
F7 P08709 3/20 0.36
GPR139 Q6DWJ6 6/20 0.36
TMPRSS6 Q8IU80 1/20 0.36

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
SCHEMBL6778241 0.87 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL6778195 0.86 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5CASR
SCHEMBL6773735 0.85 TP53 (0.39) PTPRCITGB3ITGB1ITGAVITGA5
SCHEMBL6778844 0.83 PTPRC (0.37) PTPRCITGB3ITGB1ITGAVITGA5
SCHEMBL7835686 0.83 PTPRC (0.39) PTPRCITGB3ITGB1ITGAVITGA5
SCHEMBL7835665 0.81 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7341564 0.79 GPR139 (0.41) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL3839471 0.78 GPR139 (0.47) ITGB3ITGB1ITGAVITGA5F2
SCHEMBL6776653 0.78 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL7341726 0.78 GPR139 (0.42) ITGB3ITGB1ITGAVITGA5ITGB5

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