Ethylenediamine

Ethylenediamine

SCHEMBL17060541

NCCN.O=C(O)C(c1ccccc1)C(O)O

nearest known ligand 0.61

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 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.61
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SRC P12931 1/20 0.45
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ HRH1 P35367 2/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ BCAT2 O15382 1/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21939337 0.89 CYP2D6 (0.76) CYP2D6LMNAMAPK1SRCCES2
Ethylene SCHEMBL17060540 0.83 CYP2D6 (0.67) CYP2D6LMNAMAPK1SRCCES2
Mandelic Acid SCHEMBL8744861 0.79 LMNA (0.78) CYP2D6LMNAMAPK1SRCGABBR2
Mandelic Acid SCHEMBL1672106 0.79 LMNA (0.78) CYP2D6LMNAMAPK1SRCGABBR2
SCHEMBL7824857 0.78 CYP2D6 (1.00) CYP2D6LMNAMAPK1SRCCES2
SCHEMBL11315838 0.78 CYP2D6 (1.00) CYP2D6LMNAMAPK1SRCCES2
SCHEMBL7815004 0.78 CYP2D6 (1.00) CYP2D6LMNAMAPK1SRCCES2
SCHEMBL659768 0.78 CYP2D6 (1.00) CYP2D6LMNAMAPK1SRCCES2
Diphenylacetic Acid SCHEMBL29047740 0.77 CTSD (0.52) CYP2D6LMNAMAPK1SRCGABBR2
SCHEMBL3704070 0.77 CYP2D6 (0.56) CYP2D6LMNAMAPK1SRCCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113803-B1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BVBA (BE) 2019-02-13 — — EP claimed
US-20170216481-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BV (BE) 2017-08-03 — — US claimed
EP-3113803-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM Ontex BVBA (BE) 2017-01-11 — — EP claimed
WO-2015132267-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BVBA (BE) 2015-09-11 — — WO claimed
EP-2915547-A1 Hygiene article comprising an effective odour control system Ontex BVBA (BE) 2015-09-09 — — EP claimed
EP-3113803-B1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BVBA (BE) 2019-02-13 — — EP disclosed
US-20170216481-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BV (BE) 2017-08-03 — — US disclosed
EP-3113803-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM Ontex BVBA (BE) 2017-01-11 — — EP disclosed
WO-2015132267-A1 HYGIENE ARTICLE COMPRISING AN EFFECTIVE ODOUR CONTROL SYSTEM ONTEX BVBA (BE) 2015-09-11 — — WO disclosed
EP-2915547-A1 Hygiene article comprising an effective odour control system Ontex BVBA (BE) 2015-09-09 — — EP disclosed
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