SCHEMBL7539445

SCHEMBL7539445

O=C(CCNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)OO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 6/20 0.43
DRD3 P35462 6/20 0.43
HPGDS O60760 4/20 0.42
SMYD3 Q9H7B4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
CASR P41180 4/20 0.41

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
SCHEMBL382963 0.91 SMYD3 (0.43) CNR1CNR2KDM4EHTTDRD2
SCHEMBL381765 0.89 ALDH1A1 (0.46) CNR1CNR2KDM4EHTTDRD2
SCHEMBL7468320 0.88 ITGB3 (0.43) KDM4EHTTDRD2DRD3SMYD3
SCHEMBL6800155 0.87 ALDH1A1 (0.44) CNR1CNR2KDM4EHTTDRD2
SCHEMBL6801441 0.84 ALDH1A1 (0.41) CNR1CNR2KDM4EHTTDRD2
SCHEMBL382763 0.84 ITGB3 (0.48) KDM4EHTTDRD2DRD3HPGDS
SCHEMBL7539336 0.83 KDM4E (0.60) KDM4EHTTALDH1A1GFER
SCHEMBL27474182 0.82 NAAA (0.50) DRD3ALDH1A1CASR
SCHEMBL382409 0.82 KDM4E (0.40) KDM4EHTTDRD2DRD3HPGDS
SCHEMBL381929 0.82 ITGB3 (0.45) KDM4EHTTDRD2DRD3HPGDS

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-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP claimed
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed