SCHEMBL29630480

SCHEMBL29630480

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 2/20 0.46
NTSR1 P30989 2/20 0.46
NPY4R P50391 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
FURIN P09958 2/20 0.42
PCSK6 P29122 1/20 0.42
CPB2 Q96IY4 1/20 0.41
OPRK1 P41145 1/20 0.41
BACE1 P56817 2/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
GSR P00390 1/20 0.40

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
SCHEMBL31027958 0.93 NPY1R (0.46) NTSR2NTSR1NPY4RNPY1RNPY2R
SCHEMBL27165073 0.93 CPB2 (0.45) FURINCPB2GSR
SCHEMBL27164802 0.93 CPB2 (0.45) FURINCPB2GSR
SCHEMBL30974486 0.92 ERAP2 (0.43) NTSR2NTSR1NPY4RNPY1RNPY2R
SCHEMBL29591847 0.92 ERAP2 (0.48) NTSR2NTSR1NPY4RNPY1RNPY2R
SCHEMBL10336059 0.92 BACE1 (0.51) BACE1BACE2
SCHEMBL10336062 0.92 BACE1 (0.51) BACE1BACE2
SCHEMBL10381550 0.92 FURIN (0.48) NTSR2NTSR1NPY4RNPY1RNPY2R
SCHEMBL10381547 0.92 FURIN (0.48) NTSR2NTSR1NPY4RNPY1RNPY2R
SCHEMBL29682467 0.92 NPY4R (0.52) NTSR2NTSR1NPY4RNPY1RNPY2R

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed