SCHEMBL7464227

SCHEMBL7464227

O=C(CCNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.37
ITGAV P06756 5/20 0.37
ITGA2B P08514 5/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AOC3 Q16853 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL382204 0.94 ITGB3 (0.39) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL381746 0.88 ITGB3 (0.41) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL7469287 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL383238 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7469099 0.85 KAT6A (0.41) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7468383 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BKMT2AMEN1
SCHEMBL6507434 0.84 DRD2 (0.34) ITGB3ITGAVITGA2BKDM4EDRD2
SCHEMBL382763 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL381838 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7457979 0.83 SFRP1 (0.42) ITGB3ITGAVITGA2BKDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP claimed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP disclosed