SCHEMBL8038178

SCHEMBL8038178

O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CC1.[Tc]

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 6/20 0.44
SLC6A9 P48067 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT6 P42226 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL472213 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL306395 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL29299554 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL27229072 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL5550813 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL28968883 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL5239633 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL6537424 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL10567168 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL337070 0.95 HSD17B10 (0.52) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US claimed
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
EP-0232751-B1 1-SUBSTITUTED-4,7,10-TRISCARBOXYMETHYL-1,4,7,10-TETRAAZACYCLODODECANE AND ANALOGS E.R. Squibb & Sons, Inc. (US) 1991-09-11 EP 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
EP-0232751-A1 1-substituted-4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododecane and analogs E.R. Squibb & Sons, Inc. (US) 1987-08-19 EP disclosed