Ethylenediamine

Ethylenediamine

SCHEMBL9329255

CC(=O)NC(N)=O.NCCN.[Li]

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

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
CRBN Q96SW2 1/20 0.74
TAS2R38 P59533 1/20 0.46
PAOX Q6QHF9 4/20 0.38
LMNA P02545 3/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NFKB1 P19838 3/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 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
SCHEMBL1696471 0.86
SCHEMBL29286885 0.86 CRBN (1.00) CRBNTAS2R38LMNABLMPMP22
Hydrochloric Acid SCHEMBL6044944 0.83
Diacetamide SCHEMBL8445431 0.83 CRBN (0.53) CRBNTAS2R38PAOXLMNABLM
Formaldehyde SCHEMBL28223031 0.80
Diacetamide SCHEMBL27572032 0.78 CRBN (0.48) CRBNTAS2R38PAOXLMNABLM
SCHEMBL27424245 0.76 CRBN (0.78) CRBNTAS2R38LMNABLMPMP22
Ethylenediamine SCHEMBL28107761 0.75 CRBN (0.43) CRBNLMNABLMPMP22MAPT
Acetamide SCHEMBL2162710 0.73 LMNA (0.67) CRBNPAOXLMNABLMPMP22
Acetamide SCHEMBL8445429 0.73 LMNA (0.67) CRBNPAOXLMNABLMPMP22

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
EP-0365421-B1 Specific ligands for estrogenic and progestagenic steroidal hormone receptors, their use and synthesis intermediates WALLONE REGION (BE) 1994-03-23 EP disclosed
EP-0365421-A1 Specific ligands for estrogenic and progestagenic steroidal hormone receptors, their use and synthesis intermediates LA REGION WALLONNE (BE) 1990-04-25 EP disclosed