SCHEMBL31047157

SCHEMBL31047157

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.48
NOD1 Q9Y239 2/20 0.43
NPY4R P50391 8/20 0.42
NPY1R P25929 5/20 0.42
NPY2R P49146 4/20 0.42
NPY5R Q15761 4/20 0.42
TFPI P10646 1/20 0.40
CD40 P25942 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL30880861 0.97 FOLH1 (0.47) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL8010124 0.95 NPY4R (0.45) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL8010129 0.95 NPY4R (0.45) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL31211745 0.94 FOLH1 (0.45) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30063019 0.93 NPY4R (0.42) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL31420018 0.92 FOLH1 (0.54) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL31171160 0.92 FOLH1 (0.54) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL4595320 0.92 FOLH1 (0.54) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL30045741 0.92 FOLH1 (0.54) FOLH1NOD1NPY4RNPY1RNPY2R
SCHEMBL31452998 0.92 FOLH1 (0.54) FOLH1NOD1NPY4RNPY1RNPY2R

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
CN-118496319-A Self-assembled polypeptide and application thereof in preparation of mitochondrial membrane potential detection product 河南中医药大学 2024-08-16 CN disclosed