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SCHEMBL30608553

SCHEMBL30608553

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 9/20 0.68
▸ NPY4R P50391 8/20 0.68
▸ NPY5R Q15761 8/20 0.68
▸ NPY1R P25929 6/20 0.68
▸ EP300 Q09472 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ KDM1A O60341 2/20 0.60
▸ MAOB P27338 1/20 0.60
▸ KDM5A P29375 1/20 0.60
▸ KDM1B Q8NB78 1/20 0.60
▸ TFPI P10646 3/20 0.59
▸ CALCR P30988 3/20 0.59

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
SCHEMBL30607456 0.92 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30073930 0.91 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30176453 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182927 0.90 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31182494 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607334 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30495624 0.89 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31105560 0.89 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30435649 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30176452 0.89 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1REP300

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-116875578-B Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme 康盈红莓(中山)生物科技有限公司 2024-10-01 — — CN disclosed
CN-116875578-A Triplet fusion enzyme, preparation method thereof and method for preparing nicotinamide mononucleotide by using triplet fusion enzyme 康盈红莓(中山)生物科技有限公司 2023-10-13 — — CN disclosed
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