Diethylamine

Diethylamine

SCHEMBL6495398

CC(=O)O.CCNCC.CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
FFAR3 O14843 3/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MCL1 Q07820 1/20 0.35
CYP2C19 P33261 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
PAOX Q6QHF9 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
Diethylamine SCHEMBL1427970 0.97
Diethylamine SCHEMBL21834232 0.97 TP53 (0.57) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL28027344 0.97 TP53 (0.57) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL28871047 0.97 TP53 (0.57) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL26687929 0.97 TP53 (0.57) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL25331561 0.93 TP53 (0.53) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL4418144 0.93 TP53 (0.53) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL28731052 0.93 TP53 (0.53) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL28645503 0.93 TP53 (0.53) TP53FFAR3LCKFYNALDH1A1
Diethylamine SCHEMBL28645502 0.93 TP53 (0.53) TP53FFAR3LCKFYNALDH1A1

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-107400128-A Intend monoterpenoid indole alkaloid and its preparation method and application 贵州省中国科学院天然产物化学重点实验室 2017-11-28 CN disclosed
US-6958402-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER, INC. (US) 2005-10-25 US disclosed
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC. (US) 2004-12-16 US disclosed
EP-1467731-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS Pfizer Limited (GB) 2004-10-20 EP disclosed
US-6713496-B2 3-(imidazolyl)-2-alkoxypropanoic acids PFIZER INC 2004-03-30 US disclosed
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids PFIZER INC. 2003-10-23 US disclosed
WO-2003061652-A1 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2003-07-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030199522-A1 3-(Imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 TP53 4611/4885FFAR3 40/4885LCK 4571/4885
US-20040254164-A1 3-(imidazolyl)-2-alkoxypropanoic acids F2, FGB, F7 TP53 4508/4885FFAR3 42/4885LCK 4548/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.