SCHEMBL14221982

SCHEMBL14221982

Cc1ccnc(NCCCCNC(=O)N2CCC(CC(=O)O)c3ccccc3C2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.39
ITGB3 P05106 3/20 0.36
ITGAV P06756 3/20 0.36
ITGB5 P18084 3/20 0.36
ITGA2B P08514 2/20 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
SCHEMBL4789845 0.86 LMNA (0.43) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4760969 0.81 NAMPT (0.48) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4718078 0.81 ITGB3 (0.43) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4760017 0.79 ITGB3 (0.54) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4762284 0.79 ITGB3 (0.53) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4714544 0.78 NAMPT (0.47) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4761797 0.78 ITGB3 (0.53) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4762054 0.77 NAMPT (0.42) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4761444 0.76 ITGB3 (0.55) NAMPTITGB3ITGAVITGB5ITGA2B
SCHEMBL4717998 0.75 NAMPT (0.43) NAMPTITGB3ITGAVITGB5ITGA2B

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 1 patent. 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