SCHEMBL8033959

SCHEMBL8033959

CC1CN(C(=O)O)CCN(C(=O)O)CCN(C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.54
MAPT P10636 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
HRH2 P25021 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
BRD4 O60885 2/20 0.44
SLC6A9 P48067 1/20 0.44

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
SCHEMBL3322121 0.98 CHRM1 (0.55) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL21802537 0.90 SIGMAR1 (0.53) CHRM1HRH2SLC6A9
SCHEMBL4030458 0.90 HRH2 (0.54) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL15055273 0.88 CHRM1 (0.54) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL15055274 0.88 CHRM1 (0.54) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL21763640 0.87 CHRM1 (0.53) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL10566689 0.86 CHRM1 (0.52) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL26814710 0.85 CHRM1 (0.60) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL14930106 0.85 CHRM1 (0.51) CHRM1MAPTPDK1PDK2PDK3
SCHEMBL20305037 0.82 L3MBTL1 (0.51) MAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 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-0394394-A1 MANGANESE(II) CHELATES. SALUTAR INC (US) 1990-10-31 EP disclosed
WO-1990003975-A1 MANGANESE(II) CHELATES SALUTAR, INC. (US) 1990-04-19 WO 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
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