Ethylenediamine

Ethylenediamine

SCHEMBL11090366

CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O.NCCN

nearest known ligand 0.57

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Ethylenediamine. 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
ADORA3 known ✓ P0DMS8 2/20 0.57
PDE4D known ✓ Q08499 2/20 0.57
ADORA1 known ✓ P30542 1/20 0.44
THRB P10828 11/20 0.57
THRA P10827 8/20 0.57
PPARG P37231 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 4/20 0.57
TTR P02766 2/20 0.57
HSD17B10 Q99714 2/20 0.57
RXRA P19793 2/20 0.57
NR1I2 O75469 2/20 0.57
NR3C1 P04150 1/20 0.57
CYP1A2 P05177 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
TBXA2R P21731 1/20 0.57
NTSR1 P30989 1/20 0.57
HTR2B P41595 1/20 0.57

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
Putrescine SCHEMBL11092650 0.96 THRB (0.55) THRBTHRAPPARGMEN1KMT2A
SCHEMBL1526069 0.96 THRB (0.59) THRBTHRAPPARGMEN1KMT2A
SCHEMBL8417806 0.96 THRB (0.59) THRBTHRAPPARGMEN1KMT2A
SCHEMBL10780803 0.96 THRB (0.59) THRBTHRAPPARGMEN1KMT2A
SCHEMBL10780866 0.93 THRB (0.57) THRBTHRAPPARGMEN1KMT2A
SCHEMBL18558000 0.92 THRB (0.55) THRBTHRAPPARGMEN1KMT2A
SCHEMBL12808939 0.87 THRB (0.56) THRBTHRAPPARGMEN1KMT2A
SCHEMBL13952218 0.87 ACE (0.50) THRBTHRAPPARGMEN1KMT2A
SCHEMBL5160323 0.87 ACE (0.58) PPARGITGB3ITGAVITGA2BACE
SCHEMBL21243772 0.87 ACE (0.58) PPARGITGB3ITGAVITGA2BACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108403-A2 Substituted carboxyfluoresceins ABBOTT LABORATORIES (US) 1984-05-16 EP disclosed