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Sugi Predict / Compounds / SCHEMBL30262172

SCHEMBL30262172

SCHEMBL30262172

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ CALCRL Q16602 1/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ KDM1A O60341 3/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCR P30988 1/20 0.57
▸ TFPI P10646 3/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 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
SCHEMBL30262189 0.92 NPY2R (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31034480 0.91 RAMP3 (0.63) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30432704 0.90 NPY2R (0.68) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30924747 0.90 MAPK8 (0.61) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30607421 0.89 NPY2R (0.60) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29903341 0.89 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31743445 0.89 EPHA2 (0.59) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31027702 0.88 EPHA2 (0.65) EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL29679864 0.88 MAPK8 (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30824295 0.88 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RMAPK8

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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