SCHEMBL3421663

SCHEMBL3421663

CN[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@H](N)Cc1cnc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
CYP3A4 P08684 1/20 0.51
SLC7A5 Q01650 1/20 0.51
AGTR2 P50052 1/20 0.48
REN P00797 1/20 0.47

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
SCHEMBL1007042 0.89 CYP3A4 (0.61) LTA4HCYP3A4SLC7A5
SCHEMBL163444 0.81 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL1537285 0.81 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL9554556 0.81 MME (0.52) LTA4HAGTR2
SCHEMBL28231837 0.81 CYP3A4 (0.57) LTA4HCYP3A4SLC7A5
Hydrochloric Acid SCHEMBL28331180 0.79 CYP3A4 (0.69) CYP3A4SLC7A5
SCHEMBL713213 0.79 LTA4H (0.62) LTA4HCYP3A4SLC7A5
SCHEMBL13061496 0.79 LTA4H (0.62) LTA4HCYP3A4SLC7A5
SCHEMBL27342814 0.78 REN (0.56) AGTR2REN
Hydrochloric Acid SCHEMBL27320108 0.78 LTA4H (0.61) LTA4HCYP3A4SLC7A5

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687561-A1 \"IMMUNOREGULATORY MOLECULES AND USES THEREFOR\ The Australian National University (AU) 2020-08-05 EP disclosed
WO-2019040994-A1 \"IMMUNOREGULATORY MOLECULES AND USES THEREFOR\ THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2019-03-07 WO disclosed
EP-2922862-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR Queensland University Of Technology (AU) 2015-09-30 EP disclosed
WO-2014078896-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2014-05-30 WO disclosed
EP-2726154-A1 PREVENTION AND TREATMENT OF ACUTE INFLAMMATORY CONDITIONS The University of Queensland (AU) 2014-05-07 EP disclosed
EP-2681238-A2 APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR Istituto di Ricovero E Cura A Carattere Scientifico Materno-Infantile Burlo Garofolo- Ospedale di Alta Specializzazione E di Rilievo (IT) 2014-01-08 EP disclosed
WO-2012174591-A1 PREVENTION AND TREATMENT OF ACUTE INFLAMMATORY CONDITIONS THE UNIVERSITY OF QUEENSLAND (AU) 2012-12-27 WO disclosed
WO-2012117336-A2 APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR ISTITUTO DI RICOVERO E CURA A CARATTERE SCIENTIFICO MATERNO-INFANTILE BURLO GAROFOLO - OSPEDALE DI ALTA SPECIALIZZAZIONE E DI RILIEVO NAZIONALE PER LA SALUTE DELLA DONNA E DEL BAMBINO (IT) 2012-09-07 WO disclosed
EP-2231172-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR Opal Therapeutics Pty Ltd (AU) 2010-09-29 EP disclosed
WO-2009089568-A1 IMMUNOMODULATING COMPOSITIONS AND USES THEREFOR OPAL THERAPEUTICS PTY LTD (AU) 2009-07-23 WO disclosed
WO-2001090197-A9 SYNTHETIC PEPTIDES AND USES THEREFORE UNIV AUSTRALIAN (AU) 2003-09-12 WO disclosed
EP-1328647-A1 ISOMALTULOSE SYNTHASE University of Queensland (AU) 2003-07-23 EP disclosed
EP-1285004-A1 SYNTHETIC PEPTIDES AND USES THEREFORE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-02-26 EP disclosed
WO-2002018603-A1 ISOMALTULOSE SYNTHASE THE UNIVERSITY OF QUEENSLAND (AU) 2002-03-07 WO disclosed
WO-2001090197-A1 SYNTHETIC PEPTIDES AND USES THEREFORE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2001-11-29 WO disclosed
EP-1045859-A4 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) UNIV QUEENSLAND (AU) 2001-08-22 EP disclosed
EP-1078003-A1 PLASMIN INHIBITORS FROM THE AUSTRALIAN BROWN SNAKE $i(PSEUDONAJA TEXTILIS TEXTILIS) THE UNIVERSITY OF QUEENSLAND (AU) 2001-02-28 EP disclosed
EP-1045859-A1 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) THE UNIVERSITY OF QUEENSLAND (AU) 2000-10-25 EP disclosed
WO-1999058569-A1 PLASMIN INHIBITORS FROM THE AUSTRALIAN BROWN SNAKE $i(PSEUDONAJA TEXTILIS TEXTILIS) THE UNIVERSITY OF QUEENSLAND (AU) 1999-11-18 WO disclosed
WO-1999031132-A1 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) THE UNIVERSITY OF QUEENSLAND (AU) 1999-06-24 WO disclosed