SCHEMBL7600927

SCHEMBL7600927

O=C(O)CN(CCN(CC(=O)O)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.41
POLB P06746 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
FOLH1 Q04609 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL7598191 0.94 SLC7A5 (0.44) SLC7A5CA2CAMK2ANAALAD2POLB
SCHEMBL14357545 0.93 SLC7A5 (0.51) SLC7A5CA2CAMK2ANAALAD2POLB
SCHEMBL7597594 0.87 CYP1A2 (0.48) SLC7A5FOLH1
SCHEMBL8398238 0.85 CYP1A2 (0.47) SLC7A5FOLH1
SCHEMBL8597932 0.83 ACE (0.43) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL7630147 0.82 SLC7A5 (0.39) SLC7A5CA2
SCHEMBL29588115 0.81 CYP1A2 (0.43) SLC7A5CA2FOLH1SLC6A2
SCHEMBL7596061 0.81 CYP1A2 (0.43) SLC7A5CA2FOLH1SLC6A2
SCHEMBL7668229 0.81 CYP1A2 (0.43) SLC7A5FOLH1SLC6A2
SCHEMBL9435308 0.81 TDP1 (0.39) CA2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP claimed
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed