SCHEMBL29823442

SCHEMBL29823442

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.62
▸ NMUR1 Q9HB89 5/20 0.62
▸ OPRD1 P41143 5/20 0.60
▸ OPRM1 P35372 4/20 0.60
▸ RAMP3 O60896 1/20 0.58
▸ CALCR P30988 1/20 0.58
▸ MC4R P32245 1/20 0.58
▸ EPHA2 P29317 2/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ TFPI P10646 1/20 0.54

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
SCHEMBL31005055 0.86 EP300 (0.62) NMUR2NMUR1OPRD1RAMP3CALCR
SCHEMBL29554996 0.86 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1RAMP3
SCHEMBL29939144 0.86 NPY2R (0.58) NMUR2NMUR1RAMP3CALCRTFPI
SCHEMBL30844077 0.85 OPRD1 (0.66) NMUR2NMUR1OPRD1OPRM1EPHA2
SCHEMBL30834921 0.85 NMUR2 (0.65) NMUR2NMUR1OPRD1OPRM1EPHA2
SCHEMBL30416476 0.85 OPRD1 (0.69) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL32685254 0.85 NMUR2 (0.60) NMUR2NMUR1OPRM1RAMP3CALCR
SCHEMBL30262222 0.85 NMUR2 (0.64) NMUR2NMUR1OPRD1OPRM1RAMP3
SCHEMBL30629127 0.85 NMUR2 (0.63) NMUR2NMUR1OPRD1OPRM1KEAP1
SCHEMBL29678292 0.84 KEAP1 (0.58) NMUR2NMUR1OPRD1OPRM1EPHA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957392-B Development and preparation method and application of Morchella esculenta flavor peptide base material 云南农业大学 2024-07-19 — — CN disclosed
CN-114957392-A Development and preparation method and application of morchella flavor-developing peptide flavor base material 云南农业大学 2022-08-30 — — CN disclosed
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