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Sugi Predict / Compounds / SCHEMBL30262113

SCHEMBL30262113

SCHEMBL30262113

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 7/20 0.63
▸ NPY4R P50391 6/20 0.63
▸ NPY5R Q15761 6/20 0.63
▸ NPY1R P25929 5/20 0.63
▸ KDM1A O60341 3/20 0.60
▸ TACR1 P25103 1/20 0.58
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ CXCR4 P61073 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ C5AR1 P21730 1/20 0.56
▸ EED O75530 1/20 0.56
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ IL23R Q5VWK5 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
SCHEMBL31073531 0.89 MAPK8 (0.66) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31000908 0.87 NPY2R (0.72) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31000884 0.87 NPY2R (0.75) NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607347 0.87 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL31182466 0.86 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30431371 0.85 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29811075 0.85 NPY1R (0.61) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30176440 0.85 NPY1R (0.64) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30712962 0.85 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29479845 0.85 GLP1R (0.69) NPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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