SCHEMBL15026438

SCHEMBL15026438

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ALOX15 P16050 1/20 0.61
DRD1 P21728 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
EYA2 O00167 1/20 0.56
APP P05067 1/20 0.56
ACE P12821 1/20 0.56

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
SCHEMBL21775921 0.93 TDP1 (0.56) TDP1BLMPMP22TSHRKDM4E
SCHEMBL8700272 0.93 TDP1 (0.70) TDP1BLMPMP22TSHRKDM4E
SCHEMBL24896776 0.93 TDP1 (0.70) TDP1BLMPMP22TSHRKDM4E
SCHEMBL15026437 0.93 TDP1 (0.70) TDP1BLMPMP22TSHRKDM4E
SCHEMBL114039 0.91 TDP1 (0.75) TDP1BLMPMP22TSHRKDM4E
SCHEMBL22313963 0.90 TDP1 (0.50) TDP1BLMPMP22TSHRKDM4E
SCHEMBL16390628 0.88 TDP1 (0.59) TDP1BLMPMP22TSHRKDM4E
SCHEMBL11515399 0.88 TDP1 (0.74) TDP1BLMPMP22TSHRKDM4E
SCHEMBL29520752 0.86 DNM1 (0.50) TDP1BLMPMP22TSHRKDM4E
SCHEMBL5557442 0.85 TDP1 (0.83) TDP1BLMPMP22TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013082655-A1 FUNCTIONALISATION OF CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS THE UNIVERSITY OF MELBOURNE (AU) 2013-06-13 WO disclosed
WO-2013082656-A1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS THE UNIVERSITY OF MELBOURNE (AU) 2013-06-13 WO disclosed