SCHEMBL4718079

SCHEMBL4718079

O=CNc1ccc2c(c1)CN(C(=O)NCCCc1ccc3c(n1)NCCC3)CCC2CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.47
ITGB3 P05106 19/20 0.47
ITGB5 P18084 7/20 0.46
ITGA2B P08514 5/20 0.46
ITGB6 P18564 1/20 0.43

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
SCHEMBL4716436 0.92 CXCR4 (0.43) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4714670 0.90 ITGAV (0.45) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4715027 0.89 ITGAV (0.48) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL14222270 0.89 ITGAV (0.47) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4715272 0.89 ITGAV (0.49) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL14222264 0.89 ITGAV (0.48) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL14221974 0.88 ITGAV (0.51) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4718218 0.88 ITGAV (0.46) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4791224 0.87 ITGAV (0.57) ITGAVITGB3ITGB5ITGA2BITGB6
SCHEMBL4789561 0.87 ITGAV (0.57) ITGAVITGB3ITGB5ITGA2BITGB6

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
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