SCHEMBL3364616

SCHEMBL3364616

N=C(N)N(CCl)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL7167424 0.85 TDP1 (0.39) TDP1TSHRCYP2C19EYA2APP
SCHEMBL17234273 0.82 TDP1 (0.39) TDP1TSHRCYP2C19EYA2APP
SCHEMBL17238688 0.79 GLRA1 (0.35) TDP1TSHRCYP2C19EYA2APP
SCHEMBL938369 0.77 GRIN2D (0.39) TDP1TSHRCYP2C19EYA2APP
SCHEMBL5872396 0.77 TDP1 (0.33) TDP1TSHRCYP2C19EYA2APP
SCHEMBL18073002 0.76 TDP1 (0.37) TDP1TSHRCYP2C19EYA2APP
SCHEMBL17023510 0.76 CYP2C19 (0.32) TDP1TSHRCYP2C19EYA2APP
SCHEMBL4628210 0.74 GRIN2D (0.42) TDP1TSHRCYP2C19EYA2APP
SCHEMBL2988195 0.72 TDP1 (0.34) TDP1TSHRCYP2C19EYA2APP
SCHEMBL27867568 0.72 PRSS1 (0.37) TDP1TSHRCYP2C19EYA2APP

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
CN-115197370-B High-strength high-nanocellulose-content flexible conductive composite material and preparation method and application thereof 南京林业大学 2024-03-15 CN claimed
CN-108929249-A A kind of new technique for synthesizing of ethyl creatine ester hydrochloride 泰山医学院 2018-12-04 CN disclosed
EP-1536781-B1 NUTRITIONAL OR PHARMACEUTICAL COMPOSITIONS FOR INCREASING THE CREATINE RESPONSE OF ORGANISMS NUTRICIA NV (NL) 2010-02-17 EP disclosed
US-20050287204-A1 Nutritional or pharmaceutical compositions for increasing the creatine response of organisms N.V. NUTRICIA (NL) 2005-12-29 US disclosed
EP-1536781-A1 NUTRITIONAL OR PHARMACEUTICAL COMPOSITIONS FOR INCREASING THE CREATINE RESPONSE OF ORGANISMS N.V. Nutricia (NL) 2005-06-08 EP disclosed
WO-2004000297-A1 NUTRITIONAL OR PHARMACEUTICAL COMPOSITIONS FOR INCREASING THE CREATINE RESPONSE OF ORGANISMS N.V. NUTRICIA (NL) 2003-12-31 WO disclosed
CN-1142975-A Biomedicine material and its producing method TOYO BOSEKI (JP) 1997-02-19 CN disclosed