SCHEMBL7467243

SCHEMBL7467243

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCCCC3NC3=NCCCN3)c(F)c2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGAV P06756 20/20 0.67
ITGA2B P08514 18/20 0.67

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
SCHEMBL7469959 0.92 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL5394684 0.92 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL381992 0.88 ITGB3 (0.86) ITGB3ITGAVITGA2B
SCHEMBL7461811 0.88 ITGB3 (0.52) ITGB3ITGAVITGA2B
SCHEMBL7467234 0.87 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7465379 0.84 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL7052828 0.81 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL382268 0.81 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7465504 0.81 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL6497886 0.80 ITGB3 (0.66) ITGB3ITGAVITGA2B

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed