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SCHEMBL13082279

SCHEMBL13082279

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 8/20 0.57
▸ ANPEP P15144 3/20 0.57
▸ SLC6A2 P23975 1/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ AGTR1 P30556 1/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ REN P00797 1/20 0.48

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
SCHEMBL13082281 0.90 LNPEP (0.56) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13082089 0.90 NTSR2 (0.57) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL4756884 0.86 LNPEP (0.61) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13081991 0.85 LNPEP (0.51) LNPEPANPEPSLC6A2REN
SCHEMBL13081992 0.85 LNPEP (0.56) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13081994 0.85 LNPEP (0.55) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13082278 0.83 LNPEP (0.53) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13082276 0.83 NTSR1 (0.55) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13082280 0.82 AGTR1 (0.53) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL13081985 0.81 LNPEP (0.55) LNPEPANPEPSLC6A2NTSR2NTSR1

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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