SCHEMBL382572

SCHEMBL382572

CC(C)(C)c1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 18/20 0.53
ITGB3 P05106 13/20 0.53
ITGA2B P08514 11/20 0.53
ITGA2 P17301 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 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
SCHEMBL460324 0.90 ITGAV (0.53) ITGAVITGB3ITGA2BITGA2
SCHEMBL382483 0.89 ITGB3 (0.66) ITGAVITGB3ITGA2B
SCHEMBL382113 0.87 ITGAV (0.53) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL383121 0.86 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL382426 0.86 ITGB3 (0.60) ITGAVITGB3ITGA2B
SCHEMBL383160 0.85 ITGAV (0.58) ITGAVITGB3ITGA2BITGA2
SCHEMBL382318 0.84 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL382075 0.84 ITGB3 (0.50) ITGAVITGB3ITGA2BITGA2
SCHEMBL383206 0.84 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL383584 0.81 ITGB3 (0.77) 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