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SCHEMBL31462091

SCHEMBL31462091

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.54
▸ NTSR1 P30989 2/20 0.53
▸ OPRD1 P41143 4/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ CALCR P30988 3/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL31461984 0.95 CALCR (0.53) F2OPRD1CALCR
SCHEMBL31462075 0.93 CALCR (0.54) F2OPRD1CALCROPRM1
SCHEMBL31461883 0.93 OPRD1 (0.54) F2NTSR1OPRD1CALCRKEAP1
SCHEMBL31462082 0.92 OPRD1 (0.54) F2OPRD1KEAP1OPRM1
SCHEMBL31462040 0.92 CALCR (0.54) F2OPRD1CALCR
SCHEMBL31461957 0.92 CALCR (0.50) F2NTSR1NTSR2CALCR
SCHEMBL31461996 0.91 CALCR (0.55) F2CALCR
SCHEMBL31462109 0.91 OPRD1 (0.54) F2OPRD1CALCRKEAP1OPRM1
SCHEMBL31461982 0.90 CALCRL (0.56) OPRD1CALCRKEAP1OPRM1
SCHEMBL31461892 0.89 CALCR (0.53) CALCR

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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