SCHEMBL6422005

SCHEMBL6422005

CCC(C(=O)O)N1CCN2CCN(CCN(C(CC)C(=O)O)CC1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SIGMAR1 Q99720 3/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2910332 0.89 OPRD1 (0.38) SLC6A2SLC6A3SLC6A4LMNACA12
SCHEMBL6421089 0.89 HSD17B10 (0.34) SLC6A2SLC6A3SLC6A4LMNACA12
SCHEMBL3102765 0.86
SCHEMBL1462833 0.79 LMNA (0.42) SLC6A2SLC6A3SLC6A4LMNACA12
SCHEMBL5617609 0.79 MAPT (0.44) SLC6A2SLC6A3SLC6A4LMNASIGMAR1
SCHEMBL4441694 0.78 SLC6A3 (0.50) SLC6A2SLC6A3SLC6A4
SCHEMBL499846 0.78 SLC6A3 (0.50) SLC6A2SLC6A3SLC6A4
SCHEMBL8529806 0.78 SLC6A3 (0.46) SLC6A2SLC6A3SLC6A4LMNACA12
SCHEMBL19889439 0.78 SLC6A3 (0.46) SLC6A2SLC6A3SLC6A4LMNACA12
SCHEMBL13296840 0.77 MAPT (0.57) SLC6A2SLC6A3LMNAMAPTKDM4E

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 4 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
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