SCHEMBL382189

SCHEMBL382189

COc1cc(C(=O)NC(CC(=O)O)(NS(=O)(=O)c2ccccc2)C(C)(C)C)ccc1N1CCC(Nc2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGAV P06756 4/20 0.50
ITGA2B P08514 4/20 0.50
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PKM P14618 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
NPY2R P49146 1/20 0.34

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
SCHEMBL383666 0.96 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383096 0.90 ITGB3 (0.47) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382824 0.90 ITGB3 (0.48) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL6497838 0.88 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383159 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6499251 0.86 SFRP1 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382191 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383136 0.85 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL381828 0.84 DRD2 (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6497223 0.83 DRD2 (0.41) DRD2DRD3SMN1; SMN2ALDH1A1LMNA

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