SCHEMBL7470480

SCHEMBL7470480

CC(=O)OCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.54
ITGAV P06756 13/20 0.54
ITGA2B P08514 13/20 0.54
CASR P41180 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
SCHEMBL7475328 0.90 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7463336 0.90 ITGB3 (0.58) ITGB3ITGAVITGA2BCASR
SCHEMBL7465473 0.87 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7469149 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL7469153 0.83 ITGB3 (0.38) ITGB3ITGAVITGA2BCASR
SCHEMBL7052283 0.83 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7464434 0.83 ITGB3 (0.75) ITGB3ITGAVITGA2B
SCHEMBL7048332 0.81 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7466752 0.81 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7463032 0.80 ITGB3 (0.58) ITGB3ITGAVITGA2BCASR

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