SCHEMBL31462015

SCHEMBL31462015

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.51
NPY2R P49146 7/20 0.50
NPY4R P50391 7/20 0.50
NPY5R Q15761 7/20 0.50
NPY1R P25929 5/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
CALCR P30988 3/20 0.49
F2 P00734 3/20 0.49
NTSR2 O95665 2/20 0.48
NTSR1 P30989 2/20 0.48
SORT1 Q99523 1/20 0.48

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
SCHEMBL31461899 1.00 CALCRL (0.51) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31461850 0.99 NPY2R (0.51) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31461948 0.99 NPY2R (0.51) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462026 0.99 MAPK8 (0.50) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462094 0.97 NPY2R (0.53) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462037 0.96 CALCRL (0.50) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31462031 0.96 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL31461900 0.94 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10NTSR2
SCHEMBL31461922 0.93 CALCR (0.53) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31461968 0.92 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10NTSR2

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-20250113828-A1 METHOD OF USING/APPLYING A KERATIN HYDROLYSIS PEPTIDE SOLUTION TO IMPROVE THE FERTILIZER USAGE EFFICIENCY IN COTTON CH BIOTECH R&D CO., LTD. (TW) 2025-04-10 US disclosed