SCHEMBL4789290

SCHEMBL4789290

CC(C(=O)O)C1CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.51
ITGB6 P18564 4/20 0.51
ITGB3 P05106 15/20 0.48
ITGB5 P18084 8/20 0.48
ITGA2B P08514 3/20 0.48
ITGB1 P05556 1/20 0.48
CXCR4 P61073 1/20 0.46

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
SCHEMBL4791274 1.00 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL7126306 0.96 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL4790853 0.94 ITGAV (0.46) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL4789561 0.86 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL4791224 0.86 ITGAV (0.57) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL4718204 0.84 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL14221976 0.83 ITGB3 (0.53) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL4790825 0.81 ITGB3 (0.54) ITGAVITGB3ITGB5ITGA2BITGB1
SCHEMBL4791427 0.81 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL14222263 0.80 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP claimed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US claimed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 US disclosed