SCHEMBL31461853

SCHEMBL31461853

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.45
▸ NPY4R P50391 8/20 0.45
▸ NPY5R Q15761 8/20 0.45
▸ NPY1R P25929 6/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CALCRL Q16602 3/20 0.43
▸ NTSR2 O95665 2/20 0.43
▸ NTSR1 P30989 2/20 0.43
▸ CAPN1 P07384 4/20 0.43
▸ CTSB P07858 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ RAMP1 O60894 1/20 0.42

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
SCHEMBL31461976 0.96 NPY2R (0.48) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31461915 0.94 CAPN1 (0.46) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31462120 0.94 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31461947 0.93 NTSR1 (0.45) NTSR2NTSR1CAPN1CTSBPTPN1
SCHEMBL31462111 0.93 CAPN1 (0.48) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31462033 0.92 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL31461980 0.92 NPY2R (0.46) NPY2RNPY4RNPY5RNPY1RNTSR2
SCHEMBL31461967 0.92 CAPN1 (0.48) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31462055 0.90 XIAP (0.47) CALCRLNTSR2NTSR1PTPN1SORT1
SCHEMBL31461971 0.90 XIAP (0.47) CALCRLNTSR2NTSR1PTPN1SORT1

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
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