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SCHEMBL13082089

SCHEMBL13082089

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 4/20 0.57
▸ NTSR1 P30989 4/20 0.57
▸ LNPEP Q9UIQ6 6/20 0.56
▸ ANPEP P15144 3/20 0.56
▸ AGTR1 P30556 3/20 0.56
▸ AGTR2 P50052 3/20 0.56
▸ SLC6A2 P23975 1/20 0.54
▸ REN P00797 2/20 0.52
▸ SORT1 Q99523 3/20 0.51

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
SCHEMBL13081994 0.91 LNPEP (0.55) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082281 0.90 LNPEP (0.56) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082279 0.90 LNPEP (0.57) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082278 0.88 LNPEP (0.53) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082276 0.88 NTSR1 (0.55) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082280 0.87 AGTR1 (0.53) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13081992 0.87 LNPEP (0.56) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL4756901 0.86 LNPEP (0.61) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082283 0.85 AGTR1 (0.51) NTSR2NTSR1LNPEPANPEPAGTR1
SCHEMBL13082277 0.83 NTSR1 (0.50) NTSR2NTSR1AGTR1AGTR2REN

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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