SCHEMBL7473372

SCHEMBL7473372

COc1ccc(S(=O)(=O)N[C@@H](CNC(=O)c2ccc(N3CCCCC3Nc3ncccn3)c(F)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
ITGAV P06756 8/20 0.46
UBE2N P61088 1/20 0.38
MMP13 P45452 4/20 0.38
MMP2 P08253 3/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
MMP7 P09237 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36

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
SCHEMBL7461811 0.92 ITGB3 (0.52) ITGB3ITGA2BITGAVMMP13MMP2
SCHEMBL382345 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVMMP13MMP2
SCHEMBL7473366 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAVUBE2NALDH1A1
SCHEMBL7457802 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7463191 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL382306 0.80 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7467243 0.80 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL28744974 0.80 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL382475 0.79 ITGB3 (0.43) ITGB3ITGA2BITGAVMMP13MMP2
SCHEMBL7461788 0.78 ITGB3 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed