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SCHEMBL29611528

SCHEMBL29611528

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ NTSR1 P30989 11/20 0.60
▸ NTSR2 O95665 9/20 0.60
▸ SORT1 Q99523 7/20 0.58
▸ NMUR2 Q9GZQ4 1/20 0.56
▸ NMUR1 Q9HB89 1/20 0.56
▸ OPRD1 P41143 1/20 0.55

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
SCHEMBL29612065 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29611692 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29611524 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29611985 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29387174 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29612082 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29611824 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29612137 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL20707335 1.00 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RNTSR1
SCHEMBL29420258 0.98 NTSR1 (0.60) NPY1RNPY2RNPY4RNPY5RNTSR1

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-111830154-B Separation method and application of oxytocin and 8 epimers thereof 上海上药第一生化药业有限公司 2022-05-24 — — CN claimed
CN-111830154-B Separation method and application of oxytocin and 8 epimers thereof 上海上药第一生化药业有限公司 2022-05-24 — — CN disclosed
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