SCHEMBL383595

SCHEMBL383595

COc1ccc(S(=O)(=O)OC(=O)[C@@H](N)CNC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGAV P06756 5/20 0.49
ITGA2B P08514 5/20 0.49
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.39
USP2 O75604 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
F10 P00742 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL382680 0.94 ITGB3 (0.51) ITGB3ITGAVITGA2BLMNATP53
SCHEMBL383596 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BLMNATP53
SCHEMBL382099 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2BLMNATP53
SCHEMBL383234 0.83 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL383237 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL382681 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BLMNATP53
SCHEMBL383235 0.79 ITGB3 (0.48) ITGB3ITGAVITGA2BLMNATSHR
SCHEMBL382580 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BLMNATP53
SCHEMBL382492 0.78 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL382927 0.78 ITGB3 (0.76) ITGB3ITGAVITGA2B

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