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SCHEMBL30358154

SCHEMBL30358154

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.64
▸ OPRM1 P35372 2/20 0.62
▸ OPRD1 P41143 2/20 0.62
▸ OPRK1 P41145 2/20 0.62
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ GLP1R P43220 2/20 0.58
▸ GCGR P47871 1/20 0.58
▸ GIPR P48546 1/20 0.58
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58

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
SCHEMBL31683251 0.91 OPRD1 (0.60) CALCROPRM1OPRD1OPRK1
SCHEMBL30435444 0.91 OPRD1 (0.67) CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL30607467 0.91 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL26003156 0.90 CALCR (0.61) CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL26003255 0.90 CALCR (0.61) CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL26003281 0.90 CALCR (0.58) CALCROPRM1OPRD1OPRK1
SCHEMBL30658227 0.90 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429255 0.89 CALCR (0.66) CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31182878 0.89 CALCR (0.70) CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL31182439 0.89 CALCR (0.63) CALCROPRM1OPRD1OPRK1NPY2R

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
US-11732279-B2 Method AMD strains for reducing byproduct fumaric acid in fermentation process of L-malic acid and use thereof Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-08-22 — — US disclosed
US-20230167471-A1 METHOD AMD STRAINS FOR REDUCING BYPRODUCT FUMARIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF Nanjing Haohe Biotechnology Co., Ltd. (CN) 2023-06-01 — — US disclosed
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