SCHEMBL383596

SCHEMBL383596

COc1ccc(S(=O)(=O)OC(=O)CC(N)NC(=O)c2ccc(N3CCC(Nc4ncccn4)CC3)c(OC)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 4/20 0.39
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL382681 0.94 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383595 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382101 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL383243 0.82 ITGB3 (0.51) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL27472952 0.80 ITGB3 (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382680 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382581 0.79 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL383237 0.79 ITGB3 (0.46) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL382299 0.79 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL383235 0.78 ITGB3 (0.48) ITGB3ITGAVITGA2BALDH1A1LMNA

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