SCHEMBL382874

SCHEMBL382874

COc1ccc(S(=O)(=O)NC(CC(=O)O)NC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGAV P06756 4/20 0.38
ITGA2B P08514 4/20 0.38
MMP1 P03956 6/20 0.38
MMP2 P08253 6/20 0.38
MMP3 P08254 6/20 0.38
MMP7 P09237 6/20 0.38
MMP13 P45452 6/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP9 P14780 4/20 0.36
MMP8 P22894 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KEAP1 Q14145 1/20 0.36
MEN1 O00255 2/20 0.35
THRB P10828 2/20 0.35

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
SCHEMBL382205 0.92 ITGB3 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383196 0.92 MMP13 (0.38) ITGB3ITGAVITGA2BMMP1MMP2
SCHEMBL382291 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382429 0.90 ITGB3 (0.45) ITGB3ITGAVITGA2BSMN1; SMN2KMT2A
SCHEMBL382307 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BMMP1MMP2
SCHEMBL383243 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382873 0.86 ITGB3 (0.51) ITGB3ITGAVITGA2BMMP1MMP2
SCHEMBL6499638 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6498611 0.83 DRD2 (0.41) ITGB3ITGAVITGA2BMMP1MMP2
SCHEMBL382475 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BMMP1MMP2

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