SCHEMBL8036121

SCHEMBL8036121

CC1CN(CC(=O)O)CCN(CC(=O)O)CCN(C(N)=O)CCN1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.44
SIGMAR1 Q99720 1/20 0.43
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16800540 0.89 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL9182778 0.89 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL1144711 0.89 SLC6A9 (0.51) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660369 0.87 SLC6A9 (0.53) SLC6A9SIGMAR1HSD17B10
SCHEMBL2290670 0.87 SLC6A9 (0.53) SLC6A9SIGMAR1HSD17B10
SCHEMBL24709148 0.86 SLC6A9 (0.43) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660371 0.83 SLC6A9 (0.47) SLC6A9SIGMAR1HSD17B10
SCHEMBL16660370 0.83 SLC6A9 (0.47) SLC6A9SIGMAR1HSD17B10
SCHEMBL20978841 0.81 SLC6A9 (0.44) SLC6A9SIGMAR1HSD17B10
SCHEMBL2799303 0.81 SLC6A9 (0.44) SLC6A9SIGMAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143274-A IMAGING MAMMALIAN TISSUE UTILIZING A NON-IONIC COMPLEX OF A PARAMAGNETIC ION OF LANTHANIDE ELEMENT AND A MACROCYCLIC CHELATING AGENT BRACCO DIAGNOSTICS, INC. 2000-11-07 US disclosed
US-5846519-A Method for imaging mammalian tissue using 1-substituted-1,4,7-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs BRACCO DIAGNOSTICS INC. (US) 1998-12-08 US disclosed
US-5674470-A Method for imaging mammalian tissue using 1-substituted- 4,7,10-tricarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs BRACCO DIAGNOSTICS INC. (US) 1997-10-07 US disclosed
EP-0292689-B1 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INT BV (NL) 1996-07-31 EP disclosed
US-5474756-A Chelate compound of a paramagnetic ion of lanthanide element BRACCO INTERNATIONAL B.V. (NL) 1995-12-12 US disclosed
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US disclosed
EP-0292689-A2 Substituted 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclo-dodecane and analogs BRACCO INTERNATIONAL B.V. (NL) 1988-11-30 EP disclosed