SCHEMBL383196

SCHEMBL383196

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.38
MMP1 P03956 4/20 0.38
MMP3 P08254 4/20 0.38
MMP7 P09237 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
ITGA2B P08514 4/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
STS P08842 1/20 0.36
ALDH1A1 P00352 1/20 0.35
F10 P00742 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL382874 0.92 ITGB3 (0.38) MMP13MMP1MMP3MMP7MMP2
SCHEMBL382346 0.89 ITGB3 (0.46) MMP13MMP1MMP3MMP7MMP2
SCHEMBL382475 0.85 ITGB3 (0.43) MMP13MMP1MMP3MMP7MMP2
SCHEMBL382205 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382291 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BSMN1; SMN2
SCHEMBL382873 0.82 ITGB3 (0.51) MMP13MMP1MMP3MMP7MMP2
SCHEMBL382429 0.82 ITGB3 (0.45) ITGB3ITGAVITGA2BALDH1A1SMN1; SMN2
SCHEMBL382307 0.80 ITGB3 (0.47) MMP13MMP1MMP3MMP7MMP2
SCHEMBL383243 0.78 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499638 0.77 ITGB3 (0.41) ITGB3ITGAVITGA2BDRD2DRD3

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
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed