SCHEMBL9394697

SCHEMBL9394697

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
LMNA P02545 1/20 0.39
NPY4R P50391 7/20 0.37
NPY1R P25929 5/20 0.37
NPY2R P49146 4/20 0.37
NPY5R Q15761 4/20 0.37
REN P00797 1/20 0.37
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
PGGT1B P53609 3/20 0.36
LAP3 P28838 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36

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
SCHEMBL9390635 1.00 ANPEP (0.40) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL8374436 1.00 ANPEP (0.40) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL7566039 0.95 ANPEP (0.37) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL6049152 0.89 ANPEP (0.39) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL3400148 0.89 ANPEP (0.39) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL8899669 0.89 ANPEP (0.37) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL2465468 0.89 MMP2 (0.36) FNTAFNTBPGGT1B
SCHEMBL7302277 0.87 NPC1 (0.41) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL7413964 0.86 ANPEP (0.39) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL11599296 0.83 FOLH1 (0.38) ANPEPRNPEPDNPEPALPIPKM

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-1994016740-A1 THE USE OF NITRIC OXIDE-DELIVERING COMPOUNDS FOR THE TREATMENT OR PREVENTION OF ALCOHOLIC LIVER INJURY BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-08-04 WO claimed