SCHEMBL6421876

SCHEMBL6421876

O=C(O)C(Cc1ccccc1)N1CCNCCNCCN(C(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
SLC6A4 P31645 8/20 0.55
SLC6A2 P23975 5/20 0.55
SLC6A3 Q01959 2/20 0.52
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN7 P35236 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4463271 0.97 LMNA (0.68) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL2905656 0.89 LMNA (0.56) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL11251072 0.85 SLC6A4 (0.55) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL9277493 0.84 LMNA (0.71) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL8234489 0.84 LMNA (0.51) LMNASLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL9164273 0.82 TACR1 (0.51) LMNASLC6A4SLC6A2SLC6A3
SCHEMBL9515787 0.81 LMNA (0.72) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL4434773 0.81 LMNA (0.68) LMNAHSD17B10NPSR1ALDH1A1PKM
SCHEMBL4039568 0.81 SLC6A4 (0.51) LMNASLC6A4SLC6A2SLC6A3HSD17B10
SCHEMBL4143905 0.81 LMNA (0.71) LMNASLC6A2SLC6A3HSD17B10NPSR1

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