SCHEMBL383253

SCHEMBL383253

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCCC2Nc2ncccn2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.47
ITGB3 P05106 13/20 0.47
ITGA2B P08514 13/20 0.47
ITGA2 P17301 1/20 0.41

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
SCHEMBL6496614 0.90 ITGAV (0.44) ITGAVITGB3ITGA2BITGA2
SCHEMBL381774 0.89 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL383160 0.87 ITGAV (0.58) ITGAVITGB3ITGA2BITGA2
SCHEMBL7048410 0.86 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL7462236 0.86 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL28744974 0.82 ITGB3 (0.48) ITGAVITGB3ITGA2B
SCHEMBL7465276 0.81 ITGAV (0.53) ITGAVITGB3ITGA2B
SCHEMBL7048337 0.81 ITGB3 (0.57) ITGAVITGB3ITGA2B
SCHEMBL7472914 0.81 ITGB3 (0.46) ITGAVITGB3ITGA2B
SCHEMBL6499264 0.80 ITGAV (0.49) 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