Sugi Predict

Sugi Predict / Compounds / SCHEMBL13082280

SCHEMBL13082280

SCHEMBL13082280

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.53
▸ AGTR2 P50052 1/20 0.53
▸ NTSR1 P30989 14/20 0.52
▸ NTSR2 O95665 12/20 0.52
▸ SORT1 Q99523 11/20 0.52
▸ LNPEP Q9UIQ6 3/20 0.52
▸ ANPEP P15144 1/20 0.52
▸ SLC6A2 P23975 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
SCHEMBL13082276 0.93 NTSR1 (0.55) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13081994 0.91 LNPEP (0.55) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082278 0.89 LNPEP (0.53) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082089 0.87 NTSR2 (0.57) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL4757104 0.87 AGTR1 (0.57) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082277 0.86 NTSR1 (0.50) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13081992 0.86 LNPEP (0.56) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082283 0.84 AGTR1 (0.51) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082281 0.83 LNPEP (0.56) AGTR1AGTR2NTSR1NTSR2SORT1
SCHEMBL13082279 0.82 LNPEP (0.57) AGTR1AGTR2NTSR1NTSR2LNPEP

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
Send feedback