SCHEMBL9394255

SCHEMBL9394255

NCCCCCCN(CC(=O)O)C(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48
BLM P54132 4/20 0.47
LMNA P02545 3/20 0.47
ALOX15 P16050 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
PMP22 Q01453 2/20 0.47
TSHR P16473 2/20 0.47
CHRM2 P08172 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL9644210 0.93 TDP1 (0.52) TDP1EYA2APPACEBLM
SCHEMBL27164808 0.90 BLM (0.52) TDP1EYA2APPACEBLM
SCHEMBL9642177 0.85 TDP1 (0.56) TDP1EYA2APPACEBLM
SCHEMBL15831761 0.83 BLM (0.62) TDP1EYA2APPACEBLM
SCHEMBL8441603 0.83 TDP1 (0.58) TDP1EYA2APPACEBLM
SCHEMBL2808370 0.83 TDP1 (0.56) TDP1EYA2APPACEBLM
SCHEMBL1273738 0.83 TDP1 (0.56) TDP1EYA2APPACEBLM
SCHEMBL31040408 0.82 LMNA (0.52) BLMLMNAALOX15SLC6A2SLC6A3
SCHEMBL31040447 0.82 LMNA (0.52) BLMLMNAALOX15SLC6A2SLC6A3
SCHEMBL26602930 0.79 SLC6A5 (0.41) TDP1BLMLMNAALOX15SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345723-B1 Diethylenetriamine pentaacetic acid derivatives NIHON MEDIPHYSICS CO LTD (JP) 1994-05-25 EP disclosed
US-5250702-A Nonradioactive carriers for radioactive metal elements NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-10-05 US disclosed
US-5094950-A Diagnostics NIHON MEDI-PHYSICS CO., LTD. (JP) 1992-03-10 US disclosed