SCHEMBL31461915

SCHEMBL31461915

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)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 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.46
▸ CALCRL Q16602 3/20 0.46
▸ CTSB P07858 1/20 0.46
▸ NPY2R P49146 7/20 0.45
▸ NPY4R P50391 7/20 0.45
▸ NPY5R Q15761 7/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ RAMP1 O60894 1/20 0.43
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 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
SCHEMBL31462111 0.98 CAPN1 (0.48) CAPN1CALCRLCTSBNPY2RNPY4R
SCHEMBL31461967 0.97 CAPN1 (0.48) CAPN1CALCRLCTSBNPY2RNPY4R
SCHEMBL31461853 0.94 NPY2R (0.45) CAPN1CALCRLCTSBNPY2RNPY4R
SCHEMBL31461983 0.94 CAPN1 (0.48) CAPN1CALCRLCTSBNPY2RNPY4R
SCHEMBL31461976 0.93 NPY2R (0.48) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461947 0.92 NTSR1 (0.45) CAPN1CTSBNTSR2NTSR1
SCHEMBL31462004 0.91 CALCRL (0.53) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL31461874 0.89 NPY2R (0.48) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461980 0.89 NPY2R (0.46) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31462033 0.89 NPY2R (0.46) CAPN1CTSBNPY2RNPY4RNPY5R

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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