SCHEMBL4716127

SCHEMBL4716127

O=C(O)CC1CCN(C(=O)NCCCc2ccc3c(n2)NCCC3)Cc2cc(Br)c(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.47
ITGB3 P05106 18/20 0.47
ITGB6 P18564 2/20 0.47
ITGB5 P18084 12/20 0.46
ITGA2B P08514 5/20 0.46
ITGB1 P05556 1/20 0.42

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
SCHEMBL14222777 0.94 ITGAV (0.46) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4716011 0.92 ITGAV (0.45) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4715272 0.92 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL14222270 0.89 ITGAV (0.47) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL14222264 0.89 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4715027 0.89 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4789561 0.88 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4791224 0.88 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL14221974 0.87 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL4718913 0.87 ITGAV (0.46) ITGAVITGB3ITGB6ITGB5ITGA2B

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 4 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
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