SCHEMBL7466504

SCHEMBL7466504

CO[C@H]1[C@H](CNc2ncccn2)CCN1c1cccc(C(=O)NCCC(=O)ONS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
GRIN2B Q13224 3/20 0.35
KAT6A Q92794 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7470189 0.91 GRIN2B (0.36) RAB9AGRIN2BKAT6AKDM4EHTT
SCHEMBL6500739 0.86 RAB9A (0.34) RAB9AGRIN2BKMT2AKDM4EHTT
SCHEMBL7468819 0.85 KAT6A (0.43) GRIN2BKAT6AALDH1A1L3MBTL1
SCHEMBL6498897 0.83 ITGB3 (0.47)
SCHEMBL6501436 0.79 GRIN2B (0.41) GRIN2BKMT2AKDM4EALDH1A1
SCHEMBL7457979 0.79 SFRP1 (0.42) KAT6AKDM4EHTTDRD4ALDH1A1
SCHEMBL7469405 0.79 KMT2A (0.37) RAB9AKAT6AKMT2AKDM4EHTT
SCHEMBL6498054 0.77 RAB9A (0.34) RAB9AGRIN2BKMT2AKDM4EHTT
SCHEMBL7464729 0.77 CCR2 (0.38) RAB9AGRIN2BKMT2AKDM4EHTT
SCHEMBL7463691 0.77 KDM4E (0.52) RAB9AKAT6AKDM4EHTTDRD4

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