SCHEMBL383161

SCHEMBL383161

CC(C)(C)[C@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
ITGAV P06756 6/20 0.47
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
SFRP1 Q8N474 1/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASR P41180 4/20 0.37
HPGDS O60760 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
SCHEMBL6499277 0.91 SFRP1 (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382447 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6500480 0.89 ITGB3 (0.38) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL423056 0.89 ITGB3 (0.40) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6498464 0.89 DRD2 (0.39) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383098 0.88 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL6501648 0.88 KAT6A (0.39) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382826 0.88 ITGB3 (0.51) ITGB3ITGA2BITGAVMAPTATM
SCHEMBL6497874 0.88 ITGB3 (0.44) ITGB3ITGA2BITGAVATM
SCHEMBL382623 0.87 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed