SCHEMBL4715869

SCHEMBL4715869

O=C(O)CC1CCN(C(=O)NCCCc2cccc(NCc3ccccc3)n2)Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.45
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGB5 P18084 1/20 0.36
TPSAB1 Q15661 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
SCHEMBL4717476 0.92 NAMPT (0.42) NAMPT
SCHEMBL4790644 0.89 NAMPT (0.42) NAMPTITGB3ITGAVITGA2B
SCHEMBL4761347 0.85 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
SCHEMBL4760275 0.85 NAMPT (0.39) NAMPTITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL4760424 0.85 NAMPT (0.43) NAMPTITGB3ITGAVITGA2B
SCHEMBL4762054 0.81 NAMPT (0.42) NAMPTITGB3ITGAVITGA2BITGB5
SCHEMBL4717310 0.81 KEAP1 (0.50) NAMPTCACNA1GCACNA1HCACNA1I
SCHEMBL4789561 0.79 ITGAV (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL4791224 0.79 ITGAV (0.57) ITGB3ITGAVITGA2BITGB5
SCHEMBL4761797 0.78 ITGB3 (0.53) 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 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
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed