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SCHEMBL13081985

SCHEMBL13081985

CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)C(C)C)C(=O)NC(CC1CNC=N1)C(=O)N1CCCC(C(=O)NC(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 9/20 0.55
▸ ANPEP P15144 5/20 0.55
▸ AGTR1 P30556 3/20 0.46
▸ AGTR2 P50052 3/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ SORT1 Q99523 1/20 0.44

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
SCHEMBL4757539 0.85 LNPEP (0.60) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13081992 0.83 LNPEP (0.56) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082281 0.83 LNPEP (0.56) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082089 0.82 NTSR2 (0.57) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13081994 0.82 LNPEP (0.55) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082279 0.81 LNPEP (0.57) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082280 0.80 AGTR1 (0.53) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082278 0.80 LNPEP (0.53) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL13082276 0.80 NTSR1 (0.55) LNPEPANPEPAGTR1AGTR2SLC6A2
SCHEMBL4757579 0.78 LNPEP (0.53) LNPEPANPEPAGTR1AGTR2

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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