SCHEMBL8784303

SCHEMBL8784303

COC(=O)CCC1CN(CC(=O)OC(=O)C(F)(F)F)CCC1N1CCN(c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.44
ITGA2B P08514 14/20 0.44
ALOX15 P16050 1/20 0.44
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
F2 P00734 2/20 0.35
TMPRSS6 Q8IU80 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TMPRSS15 P98073 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL8784298 0.90 ITGB3 (0.54) ITGB3ITGA2BALOX15PRSS1PRSS2
Iodide SCHEMBL8688342 0.87 ITGB3 (0.46) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8686467 0.82 ALOX15 (0.50) ITGB3ITGA2BALOX15PRSS1PRSS2
SCHEMBL7336167 0.80 ITGB3 (0.69) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8783744 0.78 ALOX15 (0.66) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8686987 0.77 ALOX15 (0.48) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8687049 0.75 ALOX15 (0.52) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8686726 0.75 ALOX15 (0.52) ITGB3ITGA2BALOX15PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL8687026 0.74 ITGB3 (0.48) ITGB3ITGA2BALOX15PRSS1PRSS2
Hydrochloric Acid SCHEMBL8783935 0.74 ALOX15 (0.58) ITGB3ITGA2BALOX15PRSS1PRSS2

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-0810215-A1 NOVEL BENZAMIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-03 EP disclosed