SCHEMBL4637261

SCHEMBL4637261

CCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ NOD1 Q9Y239 4/20 0.46
▸ PLA2G2C Q5R387 1/20 0.46
▸ LPAR3 Q9UBY5 3/20 0.44
▸ SLC6A5 Q9Y345 2/20 0.44
▸ PLA2G2A P14555 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PLA2G10 O15496 1/20 0.43
▸ LPAR1 Q92633 1/20 0.43

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
SCHEMBL3052861 0.92 LPAR3 (0.45) FAAHMEN1KMT2AEPHX2NOD1
SCHEMBL27949922 0.87 EPHX2 (0.58) FAAHMEN1KMT2AEPHX2NOD1
Hydrogen Sulfide SCHEMBL28113024 0.85 EPHX2 (0.57) FAAHMEN1KMT2AEPHX2NOD1
SCHEMBL21320215 0.85 EPHX2 (0.53) FAAHMEN1KMT2AEPHX2NOD1
SCHEMBL21724702 0.85 LPAR3 (0.54) EPHX2NOD1PLA2G2CLPAR3PLA2G10
SCHEMBL21724489 0.85 LPAR3 (0.54) EPHX2NOD1PLA2G2CLPAR3PLA2G10
SCHEMBL21724488 0.85 LPAR3 (0.54) EPHX2NOD1PLA2G2CLPAR3PLA2G10
SCHEMBL21724700 0.85 LPAR3 (0.54) EPHX2NOD1PLA2G2CLPAR3PLA2G10
SCHEMBL27104455 0.85 LPAR3 (0.54) EPHX2NOD1PLA2G2CLPAR3PLA2G10
SCHEMBL24095795 0.84 FAAH (0.53) FAAHMEN1KMT2AEPHX2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1938831-A1 Novel exendin agonist compounds Amylin Pharmaceuticals, Inc. (US) 2008-07-02 — — EP disclosed
US-7157555-B1 A polypeptide useful in the treatment of Type I and II diabetes; delaying and/or slowing gastric emptying; lowering plasma glucose levels AMYLIN PHARMACEUTICALS, INC. (US) 2007-01-02 — — US disclosed
EP-1019077-A4 NOVEL EXENDIN AGONIST COMPOUNDS AMYLIN PHARMACEUTICALS INC (US) 2002-04-10 — — EP disclosed
EP-1019077-A1 NOVEL EXENDIN AGONIST COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 2000-07-19 — — EP disclosed
WO-1999007404-A1 NOVEL EXENDIN AGONIST COMPOUNDS AMYLIN PHARMACEUTICALS, INC. (US) 1999-02-18 — — WO disclosed
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