SCHEMBL31461983

SCHEMBL31461983

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)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.48
▸ CTSB P07858 1/20 0.47
▸ NPY2R P49146 7/20 0.45
▸ NPY4R P50391 7/20 0.45
▸ NPY5R Q15761 7/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ CALCRL Q16602 3/20 0.44
▸ CRHR1 P34998 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ EP300 Q09472 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL31461915 0.94 CAPN1 (0.46) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31462120 0.94 NPY2R (0.46) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461967 0.93 CAPN1 (0.48) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31462111 0.93 CAPN1 (0.48) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461934 0.88 CAPN1 (0.47) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461940 0.88 CAPN1 (0.47) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461853 0.88 NPY2R (0.45) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461976 0.88 NPY2R (0.48) CAPN1CTSBNPY2RNPY4RNPY5R
SCHEMBL31461902 0.87 NPY2R (0.52) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31461947 0.86 NTSR1 (0.45) CAPN1CTSB

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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