SCHEMBL382824

SCHEMBL382824

CC(C)(C)C(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGAV P06756 7/20 0.48
ITGA2B P08514 7/20 0.48
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
NPY2R P49146 2/20 0.36
MTTP P55157 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
SLC6A9 P48067 1/20 0.35

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
SCHEMBL6497838 0.94 ITGB3 (0.42) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL383096 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BKMT2ANPY2R
SCHEMBL382189 0.90 ITGB3 (0.50) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL382654 0.88 ITGB3 (0.60) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL383159 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BKMT2AMAPT
SCHEMBL382800 0.87 ITGB3 (0.36) ITGB3ITGAVITGA2BALDH1A1NPY2R
SCHEMBL6499251 0.87 SFRP1 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6500444 0.86 KAT6A (0.39) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6507446 0.85 ITGB3 (0.35) ITGB3ITGAVITGA2B
SCHEMBL383666 0.85 ITGB3 (0.46) ITGB3ITGAVITGA2BPKMALDH1A1

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