SCHEMBL2909901

SCHEMBL2909901

O=CN1CCN(CC(=O)O)CCN2CCN(CC1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
S1PR1 P21453 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
SLC6A9 P48067 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TGM2 P21980 1/20 0.33

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
SCHEMBL3987598 0.87 HSD17B10 (0.48) HSD17B10MAPTALDH1A1S1PR1CYP1A2
SCHEMBL4580793 0.87 HSD17B10 (0.48) HSD17B10MAPTALDH1A1S1PR1CYP1A2
SCHEMBL5554701 0.87 HSD17B10 (0.48) HSD17B10MAPTALDH1A1S1PR1SLC6A9
SCHEMBL5237881 0.85 HSD17B10 (0.47) HSD17B10MAPTALDH1A1S1PR1CYP1A2
SCHEMBL13210852 0.79 HSD17B10 (0.41) HSD17B10MAPTALDH1A1S1PR1SLC6A9
SCHEMBL2910415 0.76 CHRM5 (0.40) HSD17B10MAPTALDH1A1S1PR1SLC6A9
Tetraxetan SCHEMBL4293643 0.74 HSD17B10 (0.61) HSD17B10MAPTALDH1A1S1PR1CYP1A2
SCHEMBL15858187 0.72 ALDH1A1 (0.52) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL173508 0.72 HSD17B10 (0.64) HSD17B10MAPTALDH1A1S1PR1CYP1A2
SCHEMBL6848102 0.72 HSD17B10 (0.64) HSD17B10MAPTALDH1A1S1PR1CYP1A2

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
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP claimed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US claimed
EP-1602649-B1 Process for the preparation of monofunctionalized 1,4,7,10-tetraazacyclododecane BRACCO SPA (IT) 2010-08-18 EP disclosed
EP-1602649-B1 Process for the preparation of monofunctionalized 1,4,7,10-tetraazacyclododecane BRACCO SPA (IT) 2010-08-18 EP disclosed
EP-1602649-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.p.A. (IT) 2005-12-07 EP disclosed
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP disclosed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US disclosed