SCHEMBL8899669

SCHEMBL8899669

CCCN(C(=O)[C@H](N)Cc1ccccc1)C(CCCNC(=N)N)C(=O)C(Cl)C(=O)C(Cl)C(=O)C(CCCNC(=N)N)N(CCC)C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
NPY4R P50391 8/20 0.35
NPY1R P25929 6/20 0.35
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
LMNA P02545 1/20 0.34
REN P00797 1/20 0.34
LAP3 P28838 1/20 0.34
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
KISS1R Q969F8 1/20 0.33

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
SCHEMBL8374436 0.89 ANPEP (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL9394697 0.89 ANPEP (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL9390635 0.89 ANPEP (0.40) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL3400148 0.87 ANPEP (0.39) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL6049152 0.87 ANPEP (0.39) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL7566039 0.87 ANPEP (0.37) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL7413964 0.82 ANPEP (0.39) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL2465468 0.81 MMP2 (0.36)
SCHEMBL6674451 0.79 HTT (0.34) LMNA
SCHEMBL7302277 0.77 NPC1 (0.41) ANPEPRNPEPDNPEPLMNAALPI

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
US-5631246-A INCREASING LEVELS OF VON WILLEBRAND FACTOR AND/OR BLOOD FACTOR VIII THE CANADIAN RED CROSS SOCIETY (CA) 1997-05-20 US disclosed