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SCHEMBL13082276

SCHEMBL13082276

CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CN)CC(C)C)C(=O)NC(CC1CNC=N1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 15/20 0.55
▸ NTSR2 O95665 13/20 0.55
▸ SORT1 Q99523 12/20 0.55
▸ REN P00797 2/20 0.54
▸ ANPEP P15144 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ AGTR1 P30556 1/20 0.52
▸ AGTR2 P50052 1/20 0.52

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
SCHEMBL13082277 0.93 NTSR1 (0.50) NTSR1NTSR2SORT1RENAGTR1
SCHEMBL13082280 0.93 AGTR1 (0.53) NTSR1NTSR2SORT1ANPEPLNPEP
SCHEMBL13081994 0.92 LNPEP (0.55) NTSR1NTSR2SORT1RENANPEP
SCHEMBL13082278 0.90 LNPEP (0.53) NTSR1NTSR2SORT1RENANPEP
SCHEMBL13082089 0.88 NTSR2 (0.57) NTSR1NTSR2SORT1RENANPEP
SCHEMBL13081992 0.87 LNPEP (0.56) NTSR1NTSR2SORT1RENANPEP
SCHEMBL4757113 0.86 LNPEP (0.57) NTSR1NTSR2SORT1RENANPEP
SCHEMBL13081991 0.85 LNPEP (0.51) RENANPEPLNPEPSLC6A2
SCHEMBL13082283 0.85 AGTR1 (0.51) NTSR1NTSR2SORT1RENANPEP
SCHEMBL13082281 0.84 LNPEP (0.56) NTSR1NTSR2SORT1RENANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 — — WO disclosed
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