SCHEMBL4715261

SCHEMBL4715261

COC(=O)CC1CCN(C(=O)NCCCc2cccc(N)n2)Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.40
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL4761347 0.91 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL4760424 0.90 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
SCHEMBL4717476 0.86 NAMPT (0.42) NAMPT
SCHEMBL4790954 0.83 NAMPT (0.47) NAMPT
SCHEMBL4790644 0.80 NAMPT (0.42) NAMPTITGB3ITGAVITGA2B
SCHEMBL4717909 0.78 TNKS (0.40) NAMPT
SCHEMBL4791121 0.78 CACNA1G (0.47) NAMPT
SCHEMBL4760965 0.78 NAMPT (0.45) NAMPTITGB3ITGAVITGA2B
SCHEMBL4717908 0.78 NAMPT (0.39) NAMPT
SCHEMBL4760275 0.77 NAMPT (0.39) NAMPTITGB3ITGAVITGA2B

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 2 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 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