SCHEMBL382191

SCHEMBL382191

COc1cc(C(=O)NC[C@@](NS(=O)(=O)c2ccccc2)(C(=O)O)C(C)(C)C)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGAV P06756 8/20 0.53
ITGA2B P08514 8/20 0.53
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL383668 0.96 ITGB3 (0.48) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383098 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL382826 0.90 ITGB3 (0.51) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL6497874 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNAPKM
SCHEMBL383161 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499277 0.86 SFRP1 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382189 0.85 ITGB3 (0.50) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383138 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6497211 0.83 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382694 0.83 ITGB3 (0.46) 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 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