SCHEMBL8348154

SCHEMBL8348154

CCOC(=O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)n(C)n1)c1ccc2c(c1)OCO2

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.86
ITGAV P06756 20/20 0.86
ITGB6 P18564 19/20 0.86
ITGB5 P18084 14/20 0.86
ITGA2B P08514 12/20 0.86
ITGB1 P05556 1/20 0.53

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
SCHEMBL6221711 1.00 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6223622 0.93 ITGB3 (0.86) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6222815 0.92 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6223678 0.92 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6280654 0.90 ITGB3 (0.70) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6221780 0.90 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6324794 0.89 ITGB3 (0.89) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL21562753 0.88 ITGB3 (0.92) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL20379586 0.88 ITGB3 (0.92) ITGB3ITGAVITGB6ITGB5ITGA2B
SCHEMBL6218679 0.88 ITGB3 (0.84) ITGB3ITGAVITGB6ITGB5ITGA2B

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
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed