SCHEMBL10381550

SCHEMBL10381550

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FURIN P09958 2/20 0.48
PCSK6 P29122 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPY4R P50391 1/20 0.47
NTSR2 O95665 2/20 0.47
NTSR1 P30989 2/20 0.47
BACE1 P56817 10/20 0.45
CTSD P07339 2/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
CPB2 Q96IY4 1/20 0.43

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
SCHEMBL10381547 1.00 FURIN (0.48) FURINPCSK6NPY1RNPY2RNPY4R
SCHEMBL29384387 0.96 NTSR2 (0.45) FURINPCSK6NPY1RNPY2RNPY4R
SCHEMBL29531524 0.96 NTSR2 (0.45) FURINPCSK6NPY1RNPY2RNPY4R
SCHEMBL29520932 0.93 BACE1 (0.53) FURINPCSK6BACE1CTSDBACE2
SCHEMBL29682467 0.93 NPY4R (0.52) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL29368320 0.92 BACE1 (0.51) NTSR2NTSR1BACE1CTSDBACE2
SCHEMBL29630480 0.92 NTSR2 (0.46) FURINPCSK6NPY1RNPY2RNPY4R
SCHEMBL29630471 0.91 NPY4R (0.53) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL31193414 0.91 ERAP2 (0.50) FURINPCSK6NPY1RNPY2RNPY4R
SCHEMBL6700436 0.90 GSR (0.45) FURINPCSK6BACE1CTSDERAP2

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-1990012031-A1 SOLUBLE CD4 PRODUCED IN $i(E. COLI) THE UPJOHN COMPANY (US) 1990-10-18 WO disclosed