SCHEMBL382873

SCHEMBL382873

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(F)c2F)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.51
ITGA2B P08514 13/20 0.51
ITGAV P06756 12/20 0.51
MMP2 P08253 5/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 3/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
ITGB8 P26012 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL382203 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL382475 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL382290 0.91 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL381745 0.90 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL382306 0.88 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL382874 0.86 ITGB3 (0.38) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL6499610 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL383234 0.85 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL382801 0.84 ITGAV (0.46) ITGB3ITGA2BITGAV
SCHEMBL7474804 0.83 ITGB3 (0.60) ITGB3ITGA2BITGAV

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 4 patents. 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 claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed