SCHEMBL11782852

SCHEMBL11782852

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 6/20 0.64
ANPEP P15144 3/20 0.57
REN P00797 1/20 0.56
SLC6A2 P23975 1/20 0.56
DPP3 Q9NY33 2/20 0.54
XIAP P98170 1/20 0.53
NTSR2 O95665 3/20 0.52
NTSR1 P30989 3/20 0.52
SORT1 Q99523 2/20 0.52
CMA1 P23946 2/20 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
SCHEMBL11782844 1.00 LNPEP (0.64) LNPEPANPEPRENSLC6A2DPP3
SCHEMBL38654555 0.93 LNPEP (0.63) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL30299334 0.92 LNPEP (0.59) LNPEPANPEPRENSLC6A2DPP3
SCHEMBL29602423 0.90 SLC6A2 (0.62) LNPEPANPEPRENSLC6A2DPP3
SCHEMBL31121210 0.90 LNPEP (0.66) LNPEPANPEPRENSLC6A2DPP3
SCHEMBL29466818 0.89 SLC6A2 (0.64) LNPEPANPEPSLC6A2DPP3
SCHEMBL30051364 0.89 DPP3 (0.60) SLC6A2DPP3CMA1
SCHEMBL29607543 0.89 REN (0.63) LNPEPANPEPRENSLC6A2NTSR2
SCHEMBL30400752 0.89 NTSR2 (0.60) LNPEPANPEPSLC6A2NTSR2NTSR1
SCHEMBL30240001 0.88 SLC6A2 (0.57) LNPEPSLC6A2DPP3XIAPCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978035-A POLYPEPTIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DT) 1976-08-31 US claimed
US-3978035-A POLYPEPTIDES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DT) 1976-08-31 US disclosed