SCHEMBL4760969

SCHEMBL4760969

O=C(O)CC1CCN(C(=O)NCCCCNc2ncccn2)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.48
GRIN2B Q13224 1/20 0.45
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
ITGB5 P18084 2/20 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
SCHEMBL4760017 0.91 ITGB3 (0.54) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4762284 0.90 ITGB3 (0.53) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4761797 0.89 ITGB3 (0.53) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4714544 0.87 NAMPT (0.47) NAMPTGRIN2BITGB3ITGAVITGA2B
SCHEMBL4718078 0.85 ITGB3 (0.43) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4791386 0.85 ITGB3 (0.51) NAMPTGRIN2BITGB3ITGAVITGA2B
SCHEMBL4761444 0.84 ITGB3 (0.55) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4789845 0.84 LMNA (0.43) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4717998 0.84 NAMPT (0.43) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4762054 0.83 NAMPT (0.42) NAMPTITGB3ITGAVITGA2BITGB5

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