SCHEMBL29471031

SCHEMBL29471031

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 4/20 0.54
▸ NPY2R P49146 2/20 0.54
▸ NPY4R P50391 2/20 0.54
▸ NPY5R Q15761 2/20 0.54
▸ OPRD1 P41143 5/20 0.52
▸ CALCR P30988 3/20 0.49
▸ OXTR P30559 1/20 0.49

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
SCHEMBL30233341 0.96 NPY1R (0.57) NPY1RNPY2RNPY4RNPY5ROPRD1
SCHEMBL30233484 0.91 NPY1R (0.57) NPY1RNPY2RNPY4RNPY5ROPRD1
SCHEMBL30788354 0.87 TFPI (0.55) OPRD1
SCHEMBL30788346 0.86 TFPI (0.56) OPRD1
SCHEMBL30788361 0.85 NMUR2 (0.56) OPRD1
SCHEMBL30233254 0.84 OPRD1 (0.61) OPRD1CALCR
SCHEMBL30753761 0.83 OPRD1 (0.61) OPRD1CALCR
SCHEMBL30788356 0.83 TFPI (0.61) —
SCHEMBL30233475 0.82 OPRD1 (0.59) OPRD1CALCR
SCHEMBL30116343 0.81 OPRD1 (0.59) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165062-A Synthesis method and application of one-pot method for synthesizing dicyclo-stapler peptide in one-pot method 河北大学 2024-06-11 — — CN claimed
CN-118165062-A Synthesis method and application of one-pot method for synthesizing dicyclo-stapler peptide in one-pot method 河北大学 2024-06-11 — — CN disclosed
WO-2022064500-A1 METHODS FOR ULTRAFAST FORMATION OF DISULFIDE BONDS IN PEPTIDES AND PROTEINS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2022-03-31 — — WO disclosed
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