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Sugi Predict / Compounds / SCHEMBL29558249

SCHEMBL29558249

SCHEMBL29558249

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.59
▸ CALCR P30988 4/20 0.58
▸ OPRM1 P35372 3/20 0.56
▸ F2 P00734 2/20 0.56
▸ OPRK1 P41145 2/20 0.56
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 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
SCHEMBL30376042 0.93 CALCR (0.60) OPRD1CALCRF2CRHR1CRHR2
SCHEMBL31575688 0.90 CALCR (0.62) OPRD1CALCROPRM1CRHR1CRHR2
SCHEMBL29811064 0.89 CALCR (0.66) OPRD1CALCRF2NPY2RNPY4R
SCHEMBL31182911 0.89 CALCR (0.65) OPRD1CALCROPRM1F2OPRK1
SCHEMBL30607403 0.89 CALCR (0.67) OPRD1CALCROPRM1OPRK1CRHR1
SCHEMBL38663746 0.88 CALCR (0.65) OPRD1CALCRF2CRHR1CRHR2
SCHEMBL30350078 0.87 OPRD1 (0.61) OPRD1CALCROPRM1
SCHEMBL31020752 0.87 NPY2R (0.64) CALCRNPY2RNPY4RNPY5R
SCHEMBL29593192 0.87 NPY2R (0.61) CALCRNPY2RNPY4RNPY5R
SCHEMBL30567778 0.87 CALCR (0.66) OPRD1CALCROPRM1OPRK1NPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560938-B Neutralizing monoclonal antibody against GDF15 and application thereof 中国人民解放军第四军医大学 2023-05-23 — — CN claimed
CN-114560938-A anti-GDF 15 neutralizing monoclonal antibody and application thereof 中国人民解放军第四军医大学 2022-05-31 — — CN claimed
CN-114560938-B Neutralizing monoclonal antibody against GDF15 and application thereof 中国人民解放军第四军医大学 2023-05-23 — — CN disclosed
CN-114560938-A anti-GDF 15 neutralizing monoclonal antibody and application thereof 中国人民解放军第四军医大学 2022-05-31 — — CN disclosed
CN-111393526-B anti-GDF 15 neutralizing monoclonal antibody and application thereof 中国人民解放军第四军医大学 2022-04-12 — — CN disclosed
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