SCHEMBL382801

SCHEMBL382801

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 19/20 0.46
ITGB3 P05106 13/20 0.46
ITGA2B P08514 12/20 0.46
ITGA2 P17301 1/20 0.35

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
SCHEMBL6507464 0.94 ITGAV (0.45) ITGAVITGB3ITGA2B
SCHEMBL382203 0.89 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL382825 0.88 ITGAV (0.61) ITGAVITGB3ITGA2B
SCHEMBL6501630 0.86 ITGAV (0.46) ITGAVITGB3ITGA2B
SCHEMBL6497858 0.86 ITGAV (0.54) ITGAVITGB3ITGA2BITGA2
SCHEMBL383097 0.85 ITGAV (0.60) ITGAVITGB3ITGA2B
SCHEMBL382290 0.85 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL383201 0.85 ITGB3 (0.40) ITGAVITGB3ITGA2B
SCHEMBL381745 0.84 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL383160 0.84 ITGAV (0.58) ITGAVITGB3ITGA2BITGA2

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed