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Sugi Predict / Compounds / SCHEMBL30262153

SCHEMBL30262153

SCHEMBL30262153

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.58
▸ NPY1R P25929 6/20 0.58
▸ NPY2R P49146 4/20 0.58
▸ NPY5R Q15761 4/20 0.58
▸ VIPR2 P41587 4/20 0.53
▸ VIPR1 P32241 3/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51

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
SCHEMBL30262237 0.98 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL30578780 0.92 BACE1 (0.55) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL30578764 0.92 BACE1 (0.55) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL29836383 0.90 TFPI (0.60) VIPR2VIPR1BACE1IL23R
SCHEMBL29770019 0.88 NPY4R (0.69) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL29770014 0.88 NPY4R (0.69) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL29770022 0.88 NPY4R (0.69) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL29770016 0.88 NPY4R (0.69) NPY4RNPY1RNPY2RNPY5RVIPR2
SCHEMBL31183000 0.88 PTH1R (0.63) VIPR2VIPR1
SCHEMBL30578760 0.88 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RVIPR2

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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