SCHEMBL7464453

SCHEMBL7464453

O=C(O)CC(NC(=O)c1ccc(N2CCCC(Nc3ncccn3)C2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
ITGAV P06756 7/20 0.54
CASR P41180 8/20 0.42
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL27551456 0.90 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRMEN1
SCHEMBL382764 0.90 ITGB3 (0.51) ITGB3ITGA2BITGAVCASRMEN1
SCHEMBL7461042 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAVCASR
SCHEMBL7464434 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7052283 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7466752 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL6499964 0.81 KAT6A (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL7654428 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM4EMAPT
SCHEMBL7461679 0.80 ITGB3 (0.38) ITGB3ITGA2BITGAVMEN1KMT2A
SCHEMBL382782 0.80 ITGB3 (0.54) ITGB3ITGA2BITGAVCASRALDH1A1

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 2 patents. 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 claimed
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