SCHEMBL4714889

SCHEMBL4714889

O=C(O)CC1CN(C(=O)NCCc2ccc3c(n2)NCCC3)CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.55
ITGB3 P05106 13/20 0.55
ITGB5 P18084 7/20 0.55
ITGA2B P08514 1/20 0.55
CXCR4 P61073 5/20 0.49
ITGB1 P05556 1/20 0.47
ITGB6 P18564 3/20 0.45

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
SCHEMBL4720078 0.95 ITGAV (0.57) ITGAVITGB3ITGB5ITGA2BCXCR4
SCHEMBL4791427 0.88 ITGAV (0.54) ITGAVITGB3ITGB5ITGA2BCXCR4
SCHEMBL4715180 0.87 ITGAV (0.53) ITGAVITGB3ITGB5ITGA2BITGB1
SCHEMBL4791224 0.83 ITGAV (0.57) ITGAVITGB3ITGB5ITGA2BITGB1
SCHEMBL4789561 0.83 ITGAV (0.57) ITGAVITGB3ITGB5ITGA2BITGB1
SCHEMBL4715236 0.82 ITGAV (0.58) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4790825 0.81 ITGB3 (0.54) ITGAVITGB3ITGB5ITGA2BCXCR4
SCHEMBL13355503 0.80 CXCR4 (0.60) ITGAVITGB3ITGB5CXCR4ITGB1
SCHEMBL14222269 0.80 ITGAV (0.53) ITGAVITGB3ITGB5ITGA2BCXCR4
SCHEMBL4719417 0.79 ITGAV (0.54) ITGAVITGB3ITGB5ITGA2BITGB1

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 3 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
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