SCHEMBL1291129

SCHEMBL1291129

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.54
▸ BCHE P06276 1/20 0.51
▸ DPP3 Q9NY33 4/20 0.51
▸ DPP4 P27487 1/20 0.48
▸ CCKAR P32238 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
SCHEMBL29966903 0.89 DPP4 (0.54) CCKBRBCHEDPP3DPP4
SCHEMBL30311056 0.87 DPP3 (0.52) CCKBRBCHEDPP3DPP4
SCHEMBL28186958 0.83 TACR1 (0.56) CCKBRCCKAR
SCHEMBL30051339 0.83 DPP4 (0.58) BCHEDPP3DPP4
SCHEMBL30051552 0.83 DPP3 (0.56) BCHEDPP3DPP4
SCHEMBL30311085 0.82 DPP4 (0.56) CCKBRBCHEDPP3DPP4
SCHEMBL30643065 0.82 CTSL (0.59) CCKBRBCHECCKAR
SCHEMBL15785202 0.82 CTSL (0.59) CCKBRBCHECCKAR
SCHEMBL29713766 0.82 DPP3 (0.63) DPP3
SCHEMBL29829082 0.81 DPP4 (0.54) CCKBRBCHEDPP3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281602-A1 Thermo-responsive polymer covalently bound with a peptide SOLVAY SA (BE) 2013-10-24 — — US disclosed
US-20130210147-A1 Bioactive amino acid sequence and use therefrom SOLVAY SA (BE) 2013-08-15 — — US disclosed
EP-2625191-A1 A THERMO-RESPONSIVE POLYMER COVALENTLY BOUND WITH A PEPTIDE SOLVAY SA (BE) 2013-08-14 — — EP disclosed
EP-2625192-A1 A BIOACTIVE AMINO ACID SEQUENCE AND USE THEREFROM SOLVAY SA (BE) 2013-08-14 — — EP disclosed
WO-2012045822-A1 A THERMO-RESPONSIVE POLYMER COVALENTLY BOUND WITH A PEPTIDE Solvay (Société Anonyme) (BE) 2012-04-12 — — WO disclosed
WO-2012045824-A1 A BIOACTIVE AMINO ACID SEQUENCE AND USE THEREFROM Solvay (Société Anonyme) (BE) 2012-04-12 — — WO disclosed
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