SCHEMBL382825

SCHEMBL382825

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.61
ITGB3 P05106 13/20 0.61
ITGA2B P08514 13/20 0.61
NPY2R P49146 1/20 0.40
MTTP P55157 1/20 0.40

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
SCHEMBL6497858 0.94 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL383097 0.92 ITGAV (0.60) ITGAVITGB3ITGA2B
SCHEMBL382190 0.90 ITGAV (0.63) ITGAVITGB3ITGA2B
SCHEMBL383013 0.89 ITGB3 (0.75) ITGAVITGB3ITGA2B
SCHEMBL382655 0.88 ITGB3 (0.75) ITGAVITGB3ITGA2B
SCHEMBL383160 0.88 ITGAV (0.58) ITGAVITGB3ITGA2B
SCHEMBL382801 0.88 ITGAV (0.46) ITGAVITGB3ITGA2B
SCHEMBL6499264 0.88 ITGAV (0.49) ITGAVITGB3ITGA2B
SCHEMBL6500457 0.87 ITGAV (0.47) ITGAVITGB3ITGA2B
SCHEMBL6507464 0.86 ITGAV (0.45) ITGAVITGB3ITGA2B

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